N-cyclopropyl-5-[4-(tetrazol-1-yl)benzoyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide

C19H20N8O2 — CID 50968794

IUPACN-cyclopropyl-5-[4-(tetrazol-1-yl)benzoyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
SMILESO=C(NC1CC1)c1cc2n(n1)CCCN(C(=O)c1ccc(-n3cnnn3)cc1)C2
InChIInChI=1S/C19H20N8O2/c28-18(21-14-4-5-14)17-10-16-11-25(8-1-9-26(16)22-17)19(29)13-2-6-15(7-3-13)27-12-20-23-24-27/h2-3,6-7,10,12,14H,1,4-5,8-9,11H2,(H,21,28)
InChIKeyKGPUFYYCFUQWFF-UHFFFAOYSA-N
MW392.42 g/mol
LogP0.80
Rot. Bonds4

About N-cyclopropyl-5-[4-(tetrazol-1-yl)benzoyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide

N-cyclopropyl-5-[4-(tetrazol-1-yl)benzoyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide (PubChem CID 50968794) has the molecular formula C19H20N8O2 and a molecular weight of 392.42 g/mol. Its IUPAC name is N-cyclopropyl-5-[4-(tetrazol-1-yl)benzoyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-[4-(tetrazol-1-yl)benzoyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
PubChem CID50968794
Molecular FormulaC19H20N8O2
Molecular Weight392.42 g/mol
Exact Mass392.17
IUPAC NameN-cyclopropyl-5-[4-(tetrazol-1-yl)benzoyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
SMILESO=C(NC1CC1)c1cc2n(n1)CCCN(C(=O)c1ccc(-n3cnnn3)cc1)C2
InChIInChI=1S/C19H20N8O2/c28-18(21-14-4-5-14)17-10-16-11-25(8-1-9-26(16)22-17)19(29)13-2-6-15(7-3-13)27-12-20-23-24-27/h2-3,6-7,10,12,14H,1,4-5,8-9,11H2,(H,21,28)
InChIKeyKGPUFYYCFUQWFF-UHFFFAOYSA-N
XLogP0.80
TPSA110.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-cyclopropyl-5-(3-hydroxybenzoyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 56745014
azocan-1-yl-[4-(tetrazol-1-yl)phenyl]methanone
CID 47006518
N-piperidin-4-yl-4-(tetrazol-1-yl)benzamide
CID 43603117
(3S)-1-[4-(tetrazol-1-yl)benzoyl]piperidine-3-carboxylic acid
CID 119113545
N-cyclohexyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide
CID 53014510
[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-[4-(tetrazol-1-yl)phenyl]methanone
CID 164696932
[3-(methylaminomethyl)piperidin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone;hydrochloride
CID 119397457
N-(3-methylcyclopentyl)-4-(tetrazol-1-yl)benzamide
CID 114550130
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone
CID 28934963
[3-(1-aminoethyl)piperidin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone;hydrochloride
CID 119595353
N-cyclopropyl-4-(pyrrolidine-1-carbonyl)benzamide
CID 109043261
4-[4-(tetrazol-1-yl)benzoyl]piperazin-2-one
CID 47111544

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[4-(tetrazol-1-yl)benzoyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
The IUPAC name of N-cyclopropyl-5-[4-(tetrazol-1-yl)benzoyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide (CID 50968794) is N-cyclopropyl-5-[4-(tetrazol-1-yl)benzoyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-[4-(tetrazol-1-yl)benzoyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-5-[4-(tetrazol-1-yl)benzoyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide is O=C(NC1CC1)c1cc2n(n1)CCCN(C(=O)c1ccc(-n3cnnn3)cc1)C2.
What is the InChIKey of N-cyclopropyl-5-[4-(tetrazol-1-yl)benzoyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
The InChIKey is KGPUFYYCFUQWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N8O2/c28-18(21-14-4-5-14)17-10-16-11-25(8-1-9-26(16)22-17)19(29)13-2-6-15(7-3-13)27-12-20-23-24-27/h2-3,6-7,10,12,14H,1,4-5,8-9,11H2,(H,21,28).
What are the key properties of N-cyclopropyl-5-[4-(tetrazol-1-yl)benzoyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
N-cyclopropyl-5-[4-(tetrazol-1-yl)benzoyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide has a molecular weight of 392.42 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[4-(tetrazol-1-yl)benzoyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide is sourced from PubChem (CID 50968794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).