N-cyclopentyl-2-[hydroxy-(2-methylpyrazol-3-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide

C18H26N6O2 — CID 91767868

IUPACN-cyclopentyl-2-[hydroxy-(2-methylpyrazol-3-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide
SMILESCn1nccc1C(O)c1cc2n(n1)CCCN(C(=O)NC1CCCC1)C2
InChIInChI=1S/C18H26N6O2/c1-22-16(7-8-19-22)17(25)15-11-14-12-23(9-4-10-24(14)21-15)18(26)20-13-5-2-3-6-13/h7-8,11,13,17,25H,2-6,9-10,12H2,1H3,(H,20,26)
InChIKeyDCAWRUDFTLKECC-UHFFFAOYSA-N
MW358.45 g/mol
LogP1.56
Rot. Bonds3

About N-cyclopentyl-2-[hydroxy-(2-methylpyrazol-3-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide

N-cyclopentyl-2-[hydroxy-(2-methylpyrazol-3-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide (PubChem CID 91767868) has the molecular formula C18H26N6O2 and a molecular weight of 358.45 g/mol. Its IUPAC name is N-cyclopentyl-2-[hydroxy-(2-methylpyrazol-3-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[hydroxy-(2-methylpyrazol-3-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide
PubChem CID91767868
Molecular FormulaC18H26N6O2
Molecular Weight358.45 g/mol
Exact Mass358.21
IUPAC NameN-cyclopentyl-2-[hydroxy-(2-methylpyrazol-3-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide
SMILESCn1nccc1C(O)c1cc2n(n1)CCCN(C(=O)NC1CCCC1)C2
InChIInChI=1S/C18H26N6O2/c1-22-16(7-8-19-22)17(25)15-11-14-12-23(9-4-10-24(14)21-15)18(26)20-13-5-2-3-6-13/h7-8,11,13,17,25H,2-6,9-10,12H2,1H3,(H,20,26)
InChIKeyDCAWRUDFTLKECC-UHFFFAOYSA-N
XLogP1.56
TPSA88.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[hydroxy-(2-methylpyrazol-3-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-pyrrol-1-ylethanone
CID 91774118
1-[2-[hydroxy-(2-methylpyrazol-3-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-thiophen-3-ylethanone
CID 91783511
2-ethylsulfanyl-1-[2-[hydroxy-(2-methylpyrazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone
CID 91791063
[5-(1,4-dithiepan-6-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-(2-methylpyrazol-3-yl)methanol
CID 90652447
[5-(5-ethylpyrimidin-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-(2-methylpyrazol-3-yl)methanol
CID 91784175
2-(3,5-dimethylpyrazol-1-yl)-1-[2-[hydroxy-(2-methylpyrazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone
CID 91767864
(4-chloro-5-methyl-1H-pyrazol-3-yl)-[2-[hydroxy-(2-methylpyrazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
CID 90652558
(2-methylpyrazol-3-yl)-[5-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol
CID 91774186
N-cyclohexyl-4-(2-methylpyrazole-3-carbonyl)-1,4-diazepane-1-carboxamide
CID 138380460
cyclobutyl-[2-[hydroxy-(1-methylimidazol-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
CID 91790670
(2-methylpyrazol-3-yl)-[5-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol
CID 91773026
[5-[2-(3,4-dimethylphenoxy)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-(2-methylpyrazol-3-yl)methanol
CID 91787215

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[hydroxy-(2-methylpyrazol-3-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide?
The IUPAC name of N-cyclopentyl-2-[hydroxy-(2-methylpyrazol-3-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide (CID 91767868) is N-cyclopentyl-2-[hydroxy-(2-methylpyrazol-3-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide.
What is the SMILES notation for N-cyclopentyl-2-[hydroxy-(2-methylpyrazol-3-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide?
The canonical SMILES for N-cyclopentyl-2-[hydroxy-(2-methylpyrazol-3-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide is Cn1nccc1C(O)c1cc2n(n1)CCCN(C(=O)NC1CCCC1)C2.
What is the InChIKey of N-cyclopentyl-2-[hydroxy-(2-methylpyrazol-3-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide?
The InChIKey is DCAWRUDFTLKECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O2/c1-22-16(7-8-19-22)17(25)15-11-14-12-23(9-4-10-24(14)21-15)18(26)20-13-5-2-3-6-13/h7-8,11,13,17,25H,2-6,9-10,12H2,1H3,(H,20,26).
What are the key properties of N-cyclopentyl-2-[hydroxy-(2-methylpyrazol-3-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide?
N-cyclopentyl-2-[hydroxy-(2-methylpyrazol-3-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide has a molecular weight of 358.45 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[hydroxy-(2-methylpyrazol-3-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide is sourced from PubChem (CID 91767868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).