N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide

C15H22N6O — CID 95123695

IUPACN-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCc1cc(C)n([C@@H](C)CNC(=O)c2cc3n(n2)CCNC3)n1
InChIInChI=1S/C15H22N6O/c1-10-6-11(2)21(18-10)12(3)8-17-15(22)14-7-13-9-16-4-5-20(13)19-14/h6-7,12,16H,4-5,8-9H2,1-3H3,(H,17,22)/t12-/m0/s1
InChIKeyPWZUAVILFIASJK-LBPRGKRZSA-N
MW302.38 g/mol
LogP0.79
Rot. Bonds4

About N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide

N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 95123695) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide
PubChem CID95123695
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC NameN-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCc1cc(C)n([C@@H](C)CNC(=O)c2cc3n(n2)CCNC3)n1
InChIInChI=1S/C15H22N6O/c1-10-6-11(2)21(18-10)12(3)8-17-15(22)14-7-13-9-16-4-5-20(13)19-14/h6-7,12,16H,4-5,8-9H2,1-3H3,(H,17,22)/t12-/m0/s1
InChIKeyPWZUAVILFIASJK-LBPRGKRZSA-N
XLogP0.79
TPSA76.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
CID 7444930
N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 74246934
N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]-2-(methylamino)pyridine-4-carboxamide
CID 92603054
N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 74238597
N-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide
CID 95120648
N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 72873095
N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-5-(morpholin-4-ylmethyl)furan-3-carboxamide
CID 74237864
N-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 50959463
N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-3-(pyrazol-1-ylmethyl)benzamide
CID 50974491
6-chloro-N-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]-1-methylindole-2-carboxamide
CID 99949687
1-(6-chloro-2-methyl-3-pyridinyl)-3-[2-(3,5-dimethylpyrazol-1-yl)propyl]urea
CID 118793816
ethyl 4-[[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]carbamoylamino]benzoate
CID 125179536

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide?
The IUPAC name of N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide (CID 95123695) is N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide?
The canonical SMILES for N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide is Cc1cc(C)n([C@@H](C)CNC(=O)c2cc3n(n2)CCNC3)n1.
What is the InChIKey of N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide?
The InChIKey is PWZUAVILFIASJK-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H22N6O/c1-10-6-11(2)21(18-10)12(3)8-17-15(22)14-7-13-9-16-4-5-20(13)19-14/h6-7,12,16H,4-5,8-9H2,1-3H3,(H,17,22)/t12-/m0/s1.
What are the key properties of N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide?
N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 302.38 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 95123695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).