1-(cyclobutylmethyl)-N-(2-cyclopropyl-5-cyclopropylidene-4,6,7,8-tetrahydropyrazolo[1,5-a][1,3]diazepin-6-yl)-1,2,4-triazole-3-carboxamide

C21H27N7O — CID 163950155

IUPAC1-(cyclobutylmethyl)-N-(2-cyclopropyl-5-cyclopropylidene-4,6,7,8-tetrahydropyrazolo[1,5-a][1,3]diazepin-6-yl)-1,2,4-triazole-3-carboxamide
SMILESO=C(NC1CCn2nc(C3CC3)cc2NC1=C1CC1)c1ncn(CC2CCC2)n1
InChIInChI=1S/C21H27N7O/c29-21(20-22-12-27(26-20)11-13-2-1-3-13)23-16-8-9-28-18(24-19(16)15-6-7-15)10-17(25-28)14-4-5-14/h10,12-14,16,24H,1-9,11H2,(H,23,29)
InChIKeyRYPRLVCROLTKTB-UHFFFAOYSA-N
MW393.50 g/mol
LogP2.81
Rot. Bonds5

About 1-(cyclobutylmethyl)-N-(2-cyclopropyl-5-cyclopropylidene-4,6,7,8-tetrahydropyrazolo[1,5-a][1,3]diazepin-6-yl)-1,2,4-triazole-3-carboxamide

1-(cyclobutylmethyl)-N-(2-cyclopropyl-5-cyclopropylidene-4,6,7,8-tetrahydropyrazolo[1,5-a][1,3]diazepin-6-yl)-1,2,4-triazole-3-carboxamide (PubChem CID 163950155) has the molecular formula C21H27N7O and a molecular weight of 393.50 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-N-(2-cyclopropyl-5-cyclopropylidene-4,6,7,8-tetrahydropyrazolo[1,5-a][1,3]diazepin-6-yl)-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-N-(2-cyclopropyl-5-cyclopropylidene-4,6,7,8-tetrahydropyrazolo[1,5-a][1,3]diazepin-6-yl)-1,2,4-triazole-3-carboxamide
PubChem CID163950155
Molecular FormulaC21H27N7O
Molecular Weight393.50 g/mol
Exact Mass393.23
IUPAC Name1-(cyclobutylmethyl)-N-(2-cyclopropyl-5-cyclopropylidene-4,6,7,8-tetrahydropyrazolo[1,5-a][1,3]diazepin-6-yl)-1,2,4-triazole-3-carboxamide
SMILESO=C(NC1CCn2nc(C3CC3)cc2NC1=C1CC1)c1ncn(CC2CCC2)n1
InChIInChI=1S/C21H27N7O/c29-21(20-22-12-27(26-20)11-13-2-1-3-13)23-16-8-9-28-18(24-19(16)15-6-7-15)10-17(25-28)14-4-5-14/h10,12-14,16,24H,1-9,11H2,(H,23,29)
InChIKeyRYPRLVCROLTKTB-UHFFFAOYSA-N
XLogP2.81
TPSA89.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.50
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-(cyclobutylmethyl)-N-(2-cyclopropyl-5-cyclopropylidene-4,6,7,8-tetrahydropyrazolo[1,5-a][1,3]diazepin-6-yl)-1,2,4-triazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-N-(2-cyclopropyl-5-cyclopropylidene-4,6,7,8-tetrahydropyrazolo[1,5-a][1,3]diazepin-6-yl)-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-(cyclobutylmethyl)-N-(2-cyclopropyl-5-cyclopropylidene-4,6,7,8-tetrahydropyrazolo[1,5-a][1,3]diazepin-6-yl)-1,2,4-triazole-3-carboxamide (CID 163950155) is 1-(cyclobutylmethyl)-N-(2-cyclopropyl-5-cyclopropylidene-4,6,7,8-tetrahydropyrazolo[1,5-a][1,3]diazepin-6-yl)-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-(cyclobutylmethyl)-N-(2-cyclopropyl-5-cyclopropylidene-4,6,7,8-tetrahydropyrazolo[1,5-a][1,3]diazepin-6-yl)-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-(cyclobutylmethyl)-N-(2-cyclopropyl-5-cyclopropylidene-4,6,7,8-tetrahydropyrazolo[1,5-a][1,3]diazepin-6-yl)-1,2,4-triazole-3-carboxamide is O=C(NC1CCn2nc(C3CC3)cc2NC1=C1CC1)c1ncn(CC2CCC2)n1.
What is the InChIKey of 1-(cyclobutylmethyl)-N-(2-cyclopropyl-5-cyclopropylidene-4,6,7,8-tetrahydropyrazolo[1,5-a][1,3]diazepin-6-yl)-1,2,4-triazole-3-carboxamide?
The InChIKey is RYPRLVCROLTKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N7O/c29-21(20-22-12-27(26-20)11-13-2-1-3-13)23-16-8-9-28-18(24-19(16)15-6-7-15)10-17(25-28)14-4-5-14/h10,12-14,16,24H,1-9,11H2,(H,23,29).
What are the key properties of 1-(cyclobutylmethyl)-N-(2-cyclopropyl-5-cyclopropylidene-4,6,7,8-tetrahydropyrazolo[1,5-a][1,3]diazepin-6-yl)-1,2,4-triazole-3-carboxamide?
1-(cyclobutylmethyl)-N-(2-cyclopropyl-5-cyclopropylidene-4,6,7,8-tetrahydropyrazolo[1,5-a][1,3]diazepin-6-yl)-1,2,4-triazole-3-carboxamide has a molecular weight of 393.50 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-N-(2-cyclopropyl-5-cyclopropylidene-4,6,7,8-tetrahydropyrazolo[1,5-a][1,3]diazepin-6-yl)-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 163950155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).