N-[5-(difluoromethyl)-1H-pyrazol-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C12H10F2N6O — CID 156823516

IUPACN-[5-(difluoromethyl)-1H-pyrazol-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cnc2c(C(=O)Nc3cn[nH]c3C(F)F)cnn2c1
InChIInChI=1S/C12H10F2N6O/c1-6-2-15-11-7(3-17-20(11)5-6)12(21)18-8-4-16-19-9(8)10(13)14/h2-5,10H,1H3,(H,16,19)(H,18,21)
InChIKeyIMGWGTLNXWCCMK-UHFFFAOYSA-N
MW292.25 g/mol
LogP1.95
Rot. Bonds3

About N-[5-(difluoromethyl)-1H-pyrazol-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[5-(difluoromethyl)-1H-pyrazol-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 156823516) has the molecular formula C12H10F2N6O and a molecular weight of 292.25 g/mol. Its IUPAC name is N-[5-(difluoromethyl)-1H-pyrazol-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(difluoromethyl)-1H-pyrazol-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID156823516
Molecular FormulaC12H10F2N6O
Molecular Weight292.25 g/mol
Exact Mass292.09
IUPAC NameN-[5-(difluoromethyl)-1H-pyrazol-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cnc2c(C(=O)Nc3cn[nH]c3C(F)F)cnn2c1
InChIInChI=1S/C12H10F2N6O/c1-6-2-15-11-7(3-17-20(11)5-6)12(21)18-8-4-16-19-9(8)10(13)14/h2-5,10H,1H3,(H,16,19)(H,18,21)
InChIKeyIMGWGTLNXWCCMK-UHFFFAOYSA-N
XLogP1.95
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.25
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-{[(1r,2s)-2-Aminocyclohexyl]amino}-N-[1-Methyl-3-(Trifluoromethyl)-1h-Pyrazol-4-Yl]pyrazolo[1,5-A]pyrimidine-3-Carboxamide
CID 122181630
5-[[(1R,2S)-2-aminocyclohexyl]amino]-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181631
N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181640
5-[[(1R,2S)-2-amino-4,4-difluorocyclohexyl]amino]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181643
5-[(5R)-5-amino-3,3-difluoropiperidin-1-yl]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181645
5-[(5R)-5-amino-3,3-difluoropiperidin-1-yl]-N-[3-(difluoromethyl)-1-methyl-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181674
5-[(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181675
5-[(3S,4S)-3-amino-4-fluoropiperidin-1-yl]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181676
N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122196169
N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122196173
5-[[(3R)-azepan-3-yl]amino]-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122196177
US10329294, Example 90
CID 122516506

Frequently Asked Questions

What is the IUPAC name of N-[5-(difluoromethyl)-1H-pyrazol-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[5-(difluoromethyl)-1H-pyrazol-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 156823516) is N-[5-(difluoromethyl)-1H-pyrazol-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[5-(difluoromethyl)-1H-pyrazol-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[5-(difluoromethyl)-1H-pyrazol-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cnc2c(C(=O)Nc3cn[nH]c3C(F)F)cnn2c1.
What is the InChIKey of N-[5-(difluoromethyl)-1H-pyrazol-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is IMGWGTLNXWCCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N6O/c1-6-2-15-11-7(3-17-20(11)5-6)12(21)18-8-4-16-19-9(8)10(13)14/h2-5,10H,1H3,(H,16,19)(H,18,21).
What are the key properties of N-[5-(difluoromethyl)-1H-pyrazol-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[5-(difluoromethyl)-1H-pyrazol-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 292.25 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(difluoromethyl)-1H-pyrazol-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 156823516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).