N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide

C19H22N6O2 — CID 50982847

IUPACN-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
SMILESCOc1ccccc1-n1cc(CNC(=O)c2cc3n(n2)CCCNC3)cn1
InChIInChI=1S/C19H22N6O2/c1-27-18-6-3-2-5-17(18)25-13-14(11-22-25)10-21-19(26)16-9-15-12-20-7-4-8-24(15)23-16/h2-3,5-6,9,11,13,20H,4,7-8,10,12H2,1H3,(H,21,26)
InChIKeyWKZZOXJZYNTCAI-UHFFFAOYSA-N
MW366.43 g/mol
LogP1.50
Rot. Bonds5

About N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide

N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide (PubChem CID 50982847) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
PubChem CID50982847
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC NameN-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
SMILESCOc1ccccc1-n1cc(CNC(=O)c2cc3n(n2)CCCNC3)cn1
InChIInChI=1S/C19H22N6O2/c1-27-18-6-3-2-5-17(18)25-13-14(11-22-25)10-21-19(26)16-9-15-12-20-7-4-8-24(15)23-16/h2-3,5-6,9,11,13,20H,4,7-8,10,12H2,1H3,(H,21,26)
InChIKeyWKZZOXJZYNTCAI-UHFFFAOYSA-N
XLogP1.50
TPSA86.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CID 70787072
(9R)-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide
CID 125176421
N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-2-[methyl(piperidin-4-yl)amino]acetamide
CID 118792786
1-cyclohexyl-3-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]urea
CID 131915991
N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-1-(2-methylpropyl)-4-oxo-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
CID 26340325
N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-1-methylpiperidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 154892390
(9aR)-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-9-oxo-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide
CID 126438626
methyl N-[1-[[1-(2-methoxyphenyl)pyrazol-4-yl]methylamino]-1-oxopropan-2-yl]carbamate
CID 90649934
N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-1-methylimidazole-4-sulfonamide
CID 131950435
(2R)-2-hydroxy-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-4-methylsulfanylbutanamide
CID 99971690
2-hydroxy-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-4-methylsulfanylbutanamide
CID 86284011
5-N-(2-methoxyethyl)-3-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-1-(3-methylbutyl)-4-oxopyridine-3,5-dicarboxamide
CID 42162235

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
The IUPAC name of N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide (CID 50982847) is N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide.
What is the SMILES notation for N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
The canonical SMILES for N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide is COc1ccccc1-n1cc(CNC(=O)c2cc3n(n2)CCCNC3)cn1.
What is the InChIKey of N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
The InChIKey is WKZZOXJZYNTCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-27-18-6-3-2-5-17(18)25-13-14(11-22-25)10-21-19(26)16-9-15-12-20-7-4-8-24(15)23-16/h2-3,5-6,9,11,13,20H,4,7-8,10,12H2,1H3,(H,21,26).
What are the key properties of N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide has a molecular weight of 366.43 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide is sourced from PubChem (CID 50982847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).