N-[5-(difluoromethyl)-2-methyl-3,4-dihydropyrazol-4-yl]-5-[(2R)-2-(difluoromethyl)morpholin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C17H19F4N7O2 — CID 170021408

IUPACN-[5-(difluoromethyl)-2-methyl-3,4-dihydropyrazol-4-yl]-5-[(2R)-2-(difluoromethyl)morpholin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN1CC(NC(=O)c2cnn3ccc(N4CCO[C@@H](C(F)F)C4)nc23)C(C(F)F)=N1
InChIInChI=1S/C17H19F4N7O2/c1-26-7-10(13(25-26)15(20)21)23-17(29)9-6-22-28-3-2-12(24-16(9)28)27-4-5-30-11(8-27)14(18)19/h2-3,6,10-11,14-15H,4-5,7-8H2,1H3,(H,23,29)/t10?,11-/m1/s1
InChIKeyALOHUIUCPSBLGE-RRKGBCIJSA-N
MW429.38 g/mol
LogP0.86
Rot. Bonds5

About N-[5-(difluoromethyl)-2-methyl-3,4-dihydropyrazol-4-yl]-5-[(2R)-2-(difluoromethyl)morpholin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[5-(difluoromethyl)-2-methyl-3,4-dihydropyrazol-4-yl]-5-[(2R)-2-(difluoromethyl)morpholin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 170021408) has the molecular formula C17H19F4N7O2 and a molecular weight of 429.38 g/mol. Its IUPAC name is N-[5-(difluoromethyl)-2-methyl-3,4-dihydropyrazol-4-yl]-5-[(2R)-2-(difluoromethyl)morpholin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(difluoromethyl)-2-methyl-3,4-dihydropyrazol-4-yl]-5-[(2R)-2-(difluoromethyl)morpholin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID170021408
Molecular FormulaC17H19F4N7O2
Molecular Weight429.38 g/mol
Exact Mass429.15
IUPAC NameN-[5-(difluoromethyl)-2-methyl-3,4-dihydropyrazol-4-yl]-5-[(2R)-2-(difluoromethyl)morpholin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN1CC(NC(=O)c2cnn3ccc(N4CCO[C@@H](C(F)F)C4)nc23)C(C(F)F)=N1
InChIInChI=1S/C17H19F4N7O2/c1-26-7-10(13(25-26)15(20)21)23-17(29)9-6-22-28-3-2-12(24-16(9)28)27-4-5-30-11(8-27)14(18)19/h2-3,6,10-11,14-15H,4-5,7-8H2,1H3,(H,23,29)/t10?,11-/m1/s1
InChIKeyALOHUIUCPSBLGE-RRKGBCIJSA-N
XLogP0.86
TPSA87.36 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.38
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[3-(difluoromethyl)-1-(4-hydroxycyclohexyl)pyrazol-4-yl]-5-[(2R)-2-methylmorpholin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 174097796
1-[5-(2,2-difluoromorpholin-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone
CID 170379491
N-[5-(difluoromethyl)-1H-pyrazol-4-yl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146599617
N-[3-(difluoromethyl)-1-methylidenepyrazol-1-ium-4-yl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 155582660
1-[5-(1,4-oxazepan-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone
CID 157339662
5-(3-amino-4-fluoropiperidin-1-yl)-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 145153112
5-(3-aminopiperidin-1-yl)-N-[5-(difluoromethyl)-2-[1-[2-[4-[4-(2,6-dimethylidenepiperidin-3-yl)phenyl]piperazin-1-yl]ethyl]piperidin-4-yl]-3,4-dihydropyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 172587018
N-[3-(difluoromethyl)-1-[4-(hydroxymethyl)cyclohexyl]-4H-pyrazol-1-ium-4-yl]-5-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 159882242
1-[5-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone
CID 158621438
N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-5-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 155274061
N-(2-methyl-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl)-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 166537213
1-(5-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone
CID 170379383

Frequently Asked Questions

What is the IUPAC name of N-[5-(difluoromethyl)-2-methyl-3,4-dihydropyrazol-4-yl]-5-[(2R)-2-(difluoromethyl)morpholin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[5-(difluoromethyl)-2-methyl-3,4-dihydropyrazol-4-yl]-5-[(2R)-2-(difluoromethyl)morpholin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 170021408) is N-[5-(difluoromethyl)-2-methyl-3,4-dihydropyrazol-4-yl]-5-[(2R)-2-(difluoromethyl)morpholin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[5-(difluoromethyl)-2-methyl-3,4-dihydropyrazol-4-yl]-5-[(2R)-2-(difluoromethyl)morpholin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[5-(difluoromethyl)-2-methyl-3,4-dihydropyrazol-4-yl]-5-[(2R)-2-(difluoromethyl)morpholin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CN1CC(NC(=O)c2cnn3ccc(N4CCO[C@@H](C(F)F)C4)nc23)C(C(F)F)=N1.
What is the InChIKey of N-[5-(difluoromethyl)-2-methyl-3,4-dihydropyrazol-4-yl]-5-[(2R)-2-(difluoromethyl)morpholin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is ALOHUIUCPSBLGE-RRKGBCIJSA-N. The full InChI is InChI=1S/C17H19F4N7O2/c1-26-7-10(13(25-26)15(20)21)23-17(29)9-6-22-28-3-2-12(24-16(9)28)27-4-5-30-11(8-27)14(18)19/h2-3,6,10-11,14-15H,4-5,7-8H2,1H3,(H,23,29)/t10?,11-/m1/s1.
What are the key properties of N-[5-(difluoromethyl)-2-methyl-3,4-dihydropyrazol-4-yl]-5-[(2R)-2-(difluoromethyl)morpholin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[5-(difluoromethyl)-2-methyl-3,4-dihydropyrazol-4-yl]-5-[(2R)-2-(difluoromethyl)morpholin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 429.38 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(difluoromethyl)-2-methyl-3,4-dihydropyrazol-4-yl]-5-[(2R)-2-(difluoromethyl)morpholin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 170021408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).