N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide

C19H30N6O — CID 95122494

IUPACN-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
SMILESCc1cc(C)n(C[C@H](C)NC(=O)c2cc3n(n2)CCCN(C(C)C)C3)n1
InChIInChI=1S/C19H30N6O/c1-13(2)23-7-6-8-24-17(12-23)10-18(22-24)19(26)20-15(4)11-25-16(5)9-14(3)21-25/h9-10,13,15H,6-8,11-12H2,1-5H3,(H,20,26)/t15-/m0/s1
InChIKeyYUBKFYSDLLGUHJ-HNNXBMFYSA-N
MW358.49 g/mol
LogP2.13
Rot. Bonds5

About N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide

N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide (PubChem CID 95122494) has the molecular formula C19H30N6O and a molecular weight of 358.49 g/mol. Its IUPAC name is N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
PubChem CID95122494
Molecular FormulaC19H30N6O
Molecular Weight358.49 g/mol
Exact Mass358.25
IUPAC NameN-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
SMILESCc1cc(C)n(C[C@H](C)NC(=O)c2cc3n(n2)CCCN(C(C)C)C3)n1
InChIInChI=1S/C19H30N6O/c1-13(2)23-7-6-8-24-17(12-23)10-18(22-24)19(26)20-15(4)11-25-16(5)9-14(3)21-25/h9-10,13,15H,6-8,11-12H2,1-5H3,(H,20,26)/t15-/m0/s1
InChIKeyYUBKFYSDLLGUHJ-HNNXBMFYSA-N
XLogP2.13
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-6-oxo-2-propan-2-yl-1H-pyridine-3-carboxamide
CID 157012975
N,N-dimethyl-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide;1-ethyl-5-[[ethyl(propan-2-yl)amino]methyl]-N-propan-2-ylpyrazole-3-carboxamide
CID 177033572
1-(5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)ethenamine
CID 171640849
N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]furan-2-carboxamide
CID 40840974
N-(2-methylsulfonylethyl)-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
CID 50960771
4-[[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]amino]-N-propan-2-ylpyridine-2-carboxamide
CID 95722888
N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 126442194
1-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-(3-methylbutan-2-yl)urea
CID 60546682
N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-[2-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylamino]-2-oxoethoxy]acetamide
CID 166196436
N-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide
CID 53014497
1-cyclohexyl-3-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]urea
CID 51852027
5-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylcarbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 19496063

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
The IUPAC name of N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide (CID 95122494) is N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
The canonical SMILES for N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide is Cc1cc(C)n(C[C@H](C)NC(=O)c2cc3n(n2)CCCN(C(C)C)C3)n1.
What is the InChIKey of N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
The InChIKey is YUBKFYSDLLGUHJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H30N6O/c1-13(2)23-7-6-8-24-17(12-23)10-18(22-24)19(26)20-15(4)11-25-16(5)9-14(3)21-25/h9-10,13,15H,6-8,11-12H2,1-5H3,(H,20,26)/t15-/m0/s1.
What are the key properties of N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide has a molecular weight of 358.49 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide is sourced from PubChem (CID 95122494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).