N-benzyl-3-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]pyrrolidine-1-carboxamide

C18H23N5O — CID 91904932

IUPACN-benzyl-3-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]pyrrolidine-1-carboxamide
SMILESO=C(NCc1ccccc1)N1CCC(Cc2nc(C3CC3)n[nH]2)C1
InChIInChI=1S/C18H23N5O/c24-18(19-11-13-4-2-1-3-5-13)23-9-8-14(12-23)10-16-20-17(22-21-16)15-6-7-15/h1-5,14-15H,6-12H2,(H,19,24)(H,20,21,22)
InChIKeyDQQSRSVSRZYPEA-UHFFFAOYSA-N
MW325.42 g/mol
LogP2.46
Rot. Bonds5

About N-benzyl-3-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]pyrrolidine-1-carboxamide

N-benzyl-3-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]pyrrolidine-1-carboxamide (PubChem CID 91904932) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is N-benzyl-3-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]pyrrolidine-1-carboxamide
PubChem CID91904932
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC NameN-benzyl-3-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]pyrrolidine-1-carboxamide
SMILESO=C(NCc1ccccc1)N1CCC(Cc2nc(C3CC3)n[nH]2)C1
InChIInChI=1S/C18H23N5O/c24-18(19-11-13-4-2-1-3-5-13)23-9-8-14(12-23)10-16-20-17(22-21-16)15-6-7-15/h1-5,14-15H,6-12H2,(H,19,24)(H,20,21,22)
InChIKeyDQQSRSVSRZYPEA-UHFFFAOYSA-N
XLogP2.46
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-benzyl-3-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]pyrrolidine-1-carboxamide (CID 91904932) is N-benzyl-3-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-benzyl-3-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-benzyl-3-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]pyrrolidine-1-carboxamide is O=C(NCc1ccccc1)N1CCC(Cc2nc(C3CC3)n[nH]2)C1.
What is the InChIKey of N-benzyl-3-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]pyrrolidine-1-carboxamide?
The InChIKey is DQQSRSVSRZYPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c24-18(19-11-13-4-2-1-3-5-13)23-9-8-14(12-23)10-16-20-17(22-21-16)15-6-7-15/h1-5,14-15H,6-12H2,(H,19,24)(H,20,21,22).
What are the key properties of N-benzyl-3-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]pyrrolidine-1-carboxamide?
N-benzyl-3-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]pyrrolidine-1-carboxamide has a molecular weight of 325.42 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 91904932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).