N-cyclopropyl-5-[4-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide

C15H15F3N6O — CID 50972188

IUPACN-cyclopropyl-5-[4-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESO=C(NC1CC1)c1cc2n(n1)CCN(c1nccc(C(F)(F)F)n1)C2
InChIInChI=1S/C15H15F3N6O/c16-15(17,18)12-3-4-19-14(21-12)23-5-6-24-10(8-23)7-11(22-24)13(25)20-9-1-2-9/h3-4,7,9H,1-2,5-6,8H2,(H,20,25)
InChIKeyGCSBBFKRFUWNQP-UHFFFAOYSA-N
MW352.32 g/mol
LogP1.60
Rot. Bonds3

About N-cyclopropyl-5-[4-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide

N-cyclopropyl-5-[4-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 50972188) has the molecular formula C15H15F3N6O and a molecular weight of 352.32 g/mol. Its IUPAC name is N-cyclopropyl-5-[4-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-[4-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
PubChem CID50972188
Molecular FormulaC15H15F3N6O
Molecular Weight352.32 g/mol
Exact Mass352.13
IUPAC NameN-cyclopropyl-5-[4-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESO=C(NC1CC1)c1cc2n(n1)CCN(c1nccc(C(F)(F)F)n1)C2
InChIInChI=1S/C15H15F3N6O/c16-15(17,18)12-3-4-19-14(21-12)23-5-6-24-10(8-23)7-11(22-24)13(25)20-9-1-2-9/h3-4,7,9H,1-2,5-6,8H2,(H,20,25)
InChIKeyGCSBBFKRFUWNQP-UHFFFAOYSA-N
XLogP1.60
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.32
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1,5-dimethyl-1H-pyrazol-3-yl)[4-(2-pyrimidinyl)piperazino]methanone
CID 2738510
[(2S,3R)-5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]-(1,5-dimethyl-4-pyrimidin-2-ylpyrazol-3-yl)methanone
CID 130298623
2-imidazol-1-yl-N-pyridazin-4-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide
CID 170774253
2-imidazol-1-yl-N-pyrimidin-5-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide
CID 170774259
(5-methyl-1H-pyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 20906482
2-amino-N,6-dimethyl-N-(3-pyrazol-1-ylpropyl)pyrimidine-4-carboxamide
CID 28785555
N-cyclopropyl-5-[(4-methyl-1H-imidazol-2-yl)carbonyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 50971445
N-cyclopropyl-5-(2,6-dimethylpyrimidine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
CID 50974143
1-[3-(3,5-Dimethylpyrazol-1-yl)piperidin-1-yl]-4-(pyrimidin-2-ylamino)butan-1-one
CID 53582293
3-isopropyl-1-methyl-N-{[1-(2-pyrimidinyl)-3-piperidinyl]methyl}-1H-pyrazole-5-carboxamide
CID 70713542
2-(diethylamino)-N-(1-ethylpyrazol-4-yl)-6-methylpyrimidine-4-carboxamide
CID 71688915
2-(dimethylamino)-6-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidine-4-carboxamide
CID 75358377

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[4-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The IUPAC name of N-cyclopropyl-5-[4-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide (CID 50972188) is N-cyclopropyl-5-[4-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-[4-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-5-[4-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide is O=C(NC1CC1)c1cc2n(n1)CCN(c1nccc(C(F)(F)F)n1)C2.
What is the InChIKey of N-cyclopropyl-5-[4-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The InChIKey is GCSBBFKRFUWNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N6O/c16-15(17,18)12-3-4-19-14(21-12)23-5-6-24-10(8-23)7-11(22-24)13(25)20-9-1-2-9/h3-4,7,9H,1-2,5-6,8H2,(H,20,25).
What are the key properties of N-cyclopropyl-5-[4-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
N-cyclopropyl-5-[4-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 352.32 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[4-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 50972188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).