N-(1H-pyrazol-4-yl)-3-(trifluoromethyl)imidazo[1,5-a]pyrazine-1-carboxamide

C11H7F3N6O — CID 166293846

IUPACN-(1H-pyrazol-4-yl)-3-(trifluoromethyl)imidazo[1,5-a]pyrazine-1-carboxamide
SMILESO=C(Nc1cn[nH]c1)c1nc(C(F)(F)F)n2ccncc12
InChIInChI=1S/C11H7F3N6O/c12-11(13,14)10-19-8(7-5-15-1-2-20(7)10)9(21)18-6-3-16-17-4-6/h1-5H,(H,16,17)(H,18,21)
InChIKeyHWCQDUXWPSNTNL-UHFFFAOYSA-N
MW296.21 g/mol
LogP1.72
Rot. Bonds2

About N-(1H-pyrazol-4-yl)-3-(trifluoromethyl)imidazo[1,5-a]pyrazine-1-carboxamide

N-(1H-pyrazol-4-yl)-3-(trifluoromethyl)imidazo[1,5-a]pyrazine-1-carboxamide (PubChem CID 166293846) has the molecular formula C11H7F3N6O and a molecular weight of 296.21 g/mol. Its IUPAC name is N-(1H-pyrazol-4-yl)-3-(trifluoromethyl)imidazo[1,5-a]pyrazine-1-carboxamide.

Molecular Properties

Compound NameN-(1H-pyrazol-4-yl)-3-(trifluoromethyl)imidazo[1,5-a]pyrazine-1-carboxamide
PubChem CID166293846
Molecular FormulaC11H7F3N6O
Molecular Weight296.21 g/mol
Exact Mass296.06
IUPAC NameN-(1H-pyrazol-4-yl)-3-(trifluoromethyl)imidazo[1,5-a]pyrazine-1-carboxamide
SMILESO=C(Nc1cn[nH]c1)c1nc(C(F)(F)F)n2ccncc12
InChIInChI=1S/C11H7F3N6O/c12-11(13,14)10-19-8(7-5-15-1-2-20(7)10)9(21)18-6-3-16-17-4-6/h1-5H,(H,16,17)(H,18,21)
InChIKeyHWCQDUXWPSNTNL-UHFFFAOYSA-N
XLogP1.72
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

US10155765, Example 53
CID 122515247
N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-1H-pyrazole-5-carboxamide
CID 72149716
2-methyl-N-[9-(2,2,2-trifluoroethyl)purin-8-yl]pyrazole-3-carboxamide
CID 172458847
1H-pyrazol-5-yl-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
CID 16671982
(5-methyl-1H-pyrazol-4-yl)-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
CID 46959348
1-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyrazin-6-yl]-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide
CID 118357059
1-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyrazin-6-yl]-N-(2,2-difluoroethyl)pyrazole-3-carboxamide
CID 118357099
N-methyl-4-[[2-[(1-methylpyrazol-4-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]-1H-pyrazole-5-carboxamide
CID 123259559
N-(5-carbamoyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 134262652
1-Imidazo[1,2-a]pyrazin-5-yl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 135169725
N-[(3S)-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-1H-pyrazole-5-carboxamide
CID 139358086
N-[5-(3,3,3-trifluoropropylcarbamoyl)-1H-pyrazol-4-yl]pyrimidine-4-carboxamide
CID 140089360

Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrazol-4-yl)-3-(trifluoromethyl)imidazo[1,5-a]pyrazine-1-carboxamide?
The IUPAC name of N-(1H-pyrazol-4-yl)-3-(trifluoromethyl)imidazo[1,5-a]pyrazine-1-carboxamide (CID 166293846) is N-(1H-pyrazol-4-yl)-3-(trifluoromethyl)imidazo[1,5-a]pyrazine-1-carboxamide.
What is the SMILES notation for N-(1H-pyrazol-4-yl)-3-(trifluoromethyl)imidazo[1,5-a]pyrazine-1-carboxamide?
The canonical SMILES for N-(1H-pyrazol-4-yl)-3-(trifluoromethyl)imidazo[1,5-a]pyrazine-1-carboxamide is O=C(Nc1cn[nH]c1)c1nc(C(F)(F)F)n2ccncc12.
What is the InChIKey of N-(1H-pyrazol-4-yl)-3-(trifluoromethyl)imidazo[1,5-a]pyrazine-1-carboxamide?
The InChIKey is HWCQDUXWPSNTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N6O/c12-11(13,14)10-19-8(7-5-15-1-2-20(7)10)9(21)18-6-3-16-17-4-6/h1-5H,(H,16,17)(H,18,21).
What are the key properties of N-(1H-pyrazol-4-yl)-3-(trifluoromethyl)imidazo[1,5-a]pyrazine-1-carboxamide?
N-(1H-pyrazol-4-yl)-3-(trifluoromethyl)imidazo[1,5-a]pyrazine-1-carboxamide has a molecular weight of 296.21 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrazol-4-yl)-3-(trifluoromethyl)imidazo[1,5-a]pyrazine-1-carboxamide is sourced from PubChem (CID 166293846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).