N-[(5-acetyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide

C19H22N6O3 — CID 74234881

IUPACN-[(5-acetyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
SMILESCC(=O)N1CCCn2nc(CNC(=O)c3cc(-c4ccc(C)o4)[nH]n3)cc2C1
InChIInChI=1S/C19H22N6O3/c1-12-4-5-18(28-12)16-9-17(22-21-16)19(27)20-10-14-8-15-11-24(13(2)26)6-3-7-25(15)23-14/h4-5,8-9H,3,6-7,10-11H2,1-2H3,(H,20,27)(H,21,22)
InChIKeyVPYSTKKHHTXYNQ-UHFFFAOYSA-N
MW382.42 g/mol
LogP1.86
Rot. Bonds4

About N-[(5-acetyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide

N-[(5-acetyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide (PubChem CID 74234881) has the molecular formula C19H22N6O3 and a molecular weight of 382.42 g/mol. Its IUPAC name is N-[(5-acetyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(5-acetyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
PubChem CID74234881
Molecular FormulaC19H22N6O3
Molecular Weight382.42 g/mol
Exact Mass382.18
IUPAC NameN-[(5-acetyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
SMILESCC(=O)N1CCCn2nc(CNC(=O)c3cc(-c4ccc(C)o4)[nH]n3)cc2C1
InChIInChI=1S/C19H22N6O3/c1-12-4-5-18(28-12)16-9-17(22-21-16)19(27)20-10-14-8-15-11-24(13(2)26)6-3-7-25(15)23-14/h4-5,8-9H,3,6-7,10-11H2,1-2H3,(H,20,27)(H,21,22)
InChIKeyVPYSTKKHHTXYNQ-UHFFFAOYSA-N
XLogP1.86
TPSA109.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(5-acetyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide with MolForge

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Related Compounds

N-(cyclopropylmethyl)-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 166187750
5-(5-methylfuran-2-yl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide
CID 112828910
2-[[(2,5-dimethylfuran-3-carbonyl)amino]methyl]-N,N-dimethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide
CID 70752023
N-[(5-bromothiophen-2-yl)methyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 112829365
N-(2-aminoethyl)-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide;hydrochloride
CID 119385488
5-(5-methylfuran-2-yl)-N-(1-piperidin-1-ylpropan-2-yl)-1H-pyrazole-3-carboxamide
CID 112829266
N-[3-(methylamino)propyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide;hydrochloride
CID 119434158
N-[[5-(cyclobutanecarbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-6-methylpyridine-3-carboxamide
CID 70734598
N-[[5-(cyclobutanecarbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 72907233
N-[[5-(cyclobutanecarbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-1,3-dimethylpyrazole-4-carboxamide
CID 70720324
N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 146145690
2-[(furan-3-carbonylamino)methyl]-N,N-dimethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide
CID 72929044

Frequently Asked Questions

What is the IUPAC name of N-[(5-acetyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(5-acetyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide (CID 74234881) is N-[(5-acetyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(5-acetyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(5-acetyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide is CC(=O)N1CCCn2nc(CNC(=O)c3cc(-c4ccc(C)o4)[nH]n3)cc2C1.
What is the InChIKey of N-[(5-acetyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide?
The InChIKey is VPYSTKKHHTXYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O3/c1-12-4-5-18(28-12)16-9-17(22-21-16)19(27)20-10-14-8-15-11-24(13(2)26)6-3-7-25(15)23-14/h4-5,8-9H,3,6-7,10-11H2,1-2H3,(H,20,27)(H,21,22).
What are the key properties of N-[(5-acetyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide?
N-[(5-acetyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 382.42 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-acetyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 74234881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).