N-[3-(difluoromethyl)-1-(4-methylcyclohexyl)pyrazol-4-yl]-5-(4-hydroxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C24H30F2N6O2 — CID 156523603

IUPACN-[3-(difluoromethyl)-1-(4-methylcyclohexyl)pyrazol-4-yl]-5-(4-hydroxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC1CCC(n2cc(NC(=O)c3cnn4ccc(C5CCC(O)CC5)nc34)c(C(F)F)n2)CC1
InChIInChI=1S/C24H30F2N6O2/c1-14-2-6-16(7-3-14)32-13-20(21(30-32)22(25)26)29-24(34)18-12-27-31-11-10-19(28-23(18)31)15-4-8-17(33)9-5-15/h10-17,22,33H,2-9H2,1H3,(H,29,34)
InChIKeyQCYLIDTUGSSREJ-UHFFFAOYSA-N
MW472.54 g/mol
LogP4.89
Rot. Bonds5

About N-[3-(difluoromethyl)-1-(4-methylcyclohexyl)pyrazol-4-yl]-5-(4-hydroxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[3-(difluoromethyl)-1-(4-methylcyclohexyl)pyrazol-4-yl]-5-(4-hydroxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 156523603) has the molecular formula C24H30F2N6O2 and a molecular weight of 472.54 g/mol. Its IUPAC name is N-[3-(difluoromethyl)-1-(4-methylcyclohexyl)pyrazol-4-yl]-5-(4-hydroxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(difluoromethyl)-1-(4-methylcyclohexyl)pyrazol-4-yl]-5-(4-hydroxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID156523603
Molecular FormulaC24H30F2N6O2
Molecular Weight472.54 g/mol
Exact Mass472.24
IUPAC NameN-[3-(difluoromethyl)-1-(4-methylcyclohexyl)pyrazol-4-yl]-5-(4-hydroxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC1CCC(n2cc(NC(=O)c3cnn4ccc(C5CCC(O)CC5)nc34)c(C(F)F)n2)CC1
InChIInChI=1S/C24H30F2N6O2/c1-14-2-6-16(7-3-14)32-13-20(21(30-32)22(25)26)29-24(34)18-12-27-31-11-10-19(28-23(18)31)15-4-8-17(33)9-5-15/h10-17,22,33H,2-9H2,1H3,(H,29,34)
InChIKeyQCYLIDTUGSSREJ-UHFFFAOYSA-N
XLogP4.89
TPSA97.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.54
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-(difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]-5-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 156523918
5-(3,8-diazabicyclo[3.2.1]octan-3-yl)-N-[3-(difluoromethyl)-1-(4-methylcyclohexyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 175626399
N-[3-(difluoromethyl)-1-(4-hydroxycyclohexyl)pyrazol-4-yl]-5-[(2R)-2-methylmorpholin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 174097796
5-amino-N-[3-(difluoromethyl)-1-(4-formylcyclohexyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 158632830
N-[3-(difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]-5-[[(1S,2R)-2-hydroxycyclohexyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 159686135
5-(cyclopropylmethylamino)-N-[3-(difluoromethyl)-1-[4-(hydroxymethyl)cyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146599694
N-[3-(difluoromethyl)-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-5-[[(1R)-2-hydroxycyclohexyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 166733514
N-[1-cyclohexyl-3-(difluoromethyl)pyrazol-4-yl]-5-[(1R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-methylpiperidin-4-ol
CID 176684961
N-[1-cyclohexyl-3-(difluoromethyl)pyrazol-4-yl]-5-[2-hydroxyethyl(propyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 169120995
5-(cyclopropylmethylamino)-N-[3-(difluoromethyl)-1-(4-formylcyclohexyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146599792
N-[3-(difluoromethyl)-1-(4-formylcyclohexyl)pyrazol-4-yl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146599693
4-[4-[3-(difluoromethyl)-4-[(5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]pyrazol-1-yl]piperidin-1-yl]benzoic acid
CID 166733888

Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethyl)-1-(4-methylcyclohexyl)pyrazol-4-yl]-5-(4-hydroxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[3-(difluoromethyl)-1-(4-methylcyclohexyl)pyrazol-4-yl]-5-(4-hydroxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 156523603) is N-[3-(difluoromethyl)-1-(4-methylcyclohexyl)pyrazol-4-yl]-5-(4-hydroxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[3-(difluoromethyl)-1-(4-methylcyclohexyl)pyrazol-4-yl]-5-(4-hydroxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[3-(difluoromethyl)-1-(4-methylcyclohexyl)pyrazol-4-yl]-5-(4-hydroxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC1CCC(n2cc(NC(=O)c3cnn4ccc(C5CCC(O)CC5)nc34)c(C(F)F)n2)CC1.
What is the InChIKey of N-[3-(difluoromethyl)-1-(4-methylcyclohexyl)pyrazol-4-yl]-5-(4-hydroxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is QCYLIDTUGSSREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F2N6O2/c1-14-2-6-16(7-3-14)32-13-20(21(30-32)22(25)26)29-24(34)18-12-27-31-11-10-19(28-23(18)31)15-4-8-17(33)9-5-15/h10-17,22,33H,2-9H2,1H3,(H,29,34).
What are the key properties of N-[3-(difluoromethyl)-1-(4-methylcyclohexyl)pyrazol-4-yl]-5-(4-hydroxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[3-(difluoromethyl)-1-(4-methylcyclohexyl)pyrazol-4-yl]-5-(4-hydroxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 472.54 g/mol, XLogP of 4.89, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethyl)-1-(4-methylcyclohexyl)pyrazol-4-yl]-5-(4-hydroxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 156523603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).