5-benzyl-N-pyrrolidin-3-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide

C19H25N5O — CID 56712060

IUPAC5-benzyl-N-pyrrolidin-3-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
SMILESO=C(NC1CCNC1)c1cc2n(n1)CCCN(Cc1ccccc1)C2
InChIInChI=1S/C19H25N5O/c25-19(21-16-7-8-20-12-16)18-11-17-14-23(9-4-10-24(17)22-18)13-15-5-2-1-3-6-15/h1-3,5-6,11,16,20H,4,7-10,12-14H2,(H,21,25)
InChIKeyLUEKDGIMCLPVRV-UHFFFAOYSA-N
MW339.44 g/mol
LogP1.38
Rot. Bonds4

About 5-benzyl-N-pyrrolidin-3-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide

5-benzyl-N-pyrrolidin-3-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide (PubChem CID 56712060) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 5-benzyl-N-pyrrolidin-3-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide.

Molecular Properties

Compound Name5-benzyl-N-pyrrolidin-3-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
PubChem CID56712060
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name5-benzyl-N-pyrrolidin-3-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
SMILESO=C(NC1CCNC1)c1cc2n(n1)CCCN(Cc1ccccc1)C2
InChIInChI=1S/C19H25N5O/c25-19(21-16-7-8-20-12-16)18-11-17-14-23(9-4-10-24(17)22-18)13-15-5-2-1-3-6-15/h1-3,5-6,11,16,20H,4,7-10,12-14H2,(H,21,25)
InChIKeyLUEKDGIMCLPVRV-UHFFFAOYSA-N
XLogP1.38
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-N-pyrrolidin-3-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
The IUPAC name of 5-benzyl-N-pyrrolidin-3-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide (CID 56712060) is 5-benzyl-N-pyrrolidin-3-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide.
What is the SMILES notation for 5-benzyl-N-pyrrolidin-3-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
The canonical SMILES for 5-benzyl-N-pyrrolidin-3-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide is O=C(NC1CCNC1)c1cc2n(n1)CCCN(Cc1ccccc1)C2.
What is the InChIKey of 5-benzyl-N-pyrrolidin-3-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
The InChIKey is LUEKDGIMCLPVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c25-19(21-16-7-8-20-12-16)18-11-17-14-23(9-4-10-24(17)22-18)13-15-5-2-1-3-6-15/h1-3,5-6,11,16,20H,4,7-10,12-14H2,(H,21,25).
What are the key properties of 5-benzyl-N-pyrrolidin-3-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
5-benzyl-N-pyrrolidin-3-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-N-pyrrolidin-3-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide is sourced from PubChem (CID 56712060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).