N-cyclopropyl-7-(methylamino)-5-[[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C16H17F3N8O — CID 154678777

IUPACN-cyclopropyl-7-(methylamino)-5-[[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2ccnn2CC(F)(F)F)nc2c(C(=O)NC3CC3)cnn12
InChIInChI=1S/C16H17F3N8O/c1-20-13-6-11(24-12-4-5-21-26(12)8-16(17,18)19)25-14-10(7-22-27(13)14)15(28)23-9-2-3-9/h4-7,9,20H,2-3,8H2,1H3,(H,23,28)(H,24,25)
InChIKeyUPFRNAZHHSMERE-UHFFFAOYSA-N
MW394.36 g/mol
LogP2.17
Rot. Bonds6

About N-cyclopropyl-7-(methylamino)-5-[[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-cyclopropyl-7-(methylamino)-5-[[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 154678777) has the molecular formula C16H17F3N8O and a molecular weight of 394.36 g/mol. Its IUPAC name is N-cyclopropyl-7-(methylamino)-5-[[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-7-(methylamino)-5-[[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID154678777
Molecular FormulaC16H17F3N8O
Molecular Weight394.36 g/mol
Exact Mass394.15
IUPAC NameN-cyclopropyl-7-(methylamino)-5-[[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2ccnn2CC(F)(F)F)nc2c(C(=O)NC3CC3)cnn12
InChIInChI=1S/C16H17F3N8O/c1-20-13-6-11(24-12-4-5-21-26(12)8-16(17,18)19)25-14-10(7-22-27(13)14)15(28)23-9-2-3-9/h4-7,9,20H,2-3,8H2,1H3,(H,23,28)(H,24,25)
InChIKeyUPFRNAZHHSMERE-UHFFFAOYSA-N
XLogP2.17
TPSA101.17 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.36
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

N-cyclopropyl-5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 154678692
methyl 2-[[3-(cyclopropylcarbamoyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]benzoate
CID 154678689
N-cyclopropyl-7-(methylamino)-5-[[4-(methylcarbamoyl)thiophen-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 154678708
CID 142523922
CID 142523922
N-cyclopropyl-7-(methylamino)-5-[(2-oxo-1-propan-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449164
4-[[3-(cyclopropylcarbamoyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-N-methyl-1,2-thiazole-3-carboxamide
CID 137449963
N-cyclopropyl-7-(methylamino)-5-[(2-oxo-1-pyridin-3-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137450224
N-cyclopropyl-7-(methylamino)-5-[[1-(2-oxaspiro[3.3]heptan-6-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 142523504
N-cyclopropyl-7-(methylamino)-5-[[1-(oxan-2-ylmethyl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449153
N-cyclopropyl-7-(methylamino)-5-[(5-methyl-2-propan-2-yloxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137457779
N-cyclopropyl-5-[[1-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449214
5-[(2-cyclopropyloxy-3-pyridinyl)amino]-N-(3,3-difluorocyclobutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137441508

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-7-(methylamino)-5-[[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-7-(methylamino)-5-[[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 154678777) is N-cyclopropyl-7-(methylamino)-5-[[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-7-(methylamino)-5-[[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-7-(methylamino)-5-[[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2ccnn2CC(F)(F)F)nc2c(C(=O)NC3CC3)cnn12.
What is the InChIKey of N-cyclopropyl-7-(methylamino)-5-[[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is UPFRNAZHHSMERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N8O/c1-20-13-6-11(24-12-4-5-21-26(12)8-16(17,18)19)25-14-10(7-22-27(13)14)15(28)23-9-2-3-9/h4-7,9,20H,2-3,8H2,1H3,(H,23,28)(H,24,25).
What are the key properties of N-cyclopropyl-7-(methylamino)-5-[[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-cyclopropyl-7-(methylamino)-5-[[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 394.36 g/mol, XLogP of 2.17, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-7-(methylamino)-5-[[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 154678777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).