3-(hydroxymethyl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidine-1-carboxamide

C15H19N5O2 — CID 111443773

IUPAC3-(hydroxymethyl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidine-1-carboxamide
SMILESO=C(NCc1ccc(-n2cncn2)cc1)N1CCC(CO)C1
InChIInChI=1S/C15H19N5O2/c21-9-13-5-6-19(8-13)15(22)17-7-12-1-3-14(4-2-12)20-11-16-10-18-20/h1-4,10-11,13,21H,5-9H2,(H,17,22)
InChIKeyQQZDOAPMCJVTDQ-UHFFFAOYSA-N
MW301.35 g/mol
LogP0.79
Rot. Bonds4

About 3-(hydroxymethyl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidine-1-carboxamide

3-(hydroxymethyl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidine-1-carboxamide (PubChem CID 111443773) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 3-(hydroxymethyl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(hydroxymethyl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidine-1-carboxamide
PubChem CID111443773
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name3-(hydroxymethyl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidine-1-carboxamide
SMILESO=C(NCc1ccc(-n2cncn2)cc1)N1CCC(CO)C1
InChIInChI=1S/C15H19N5O2/c21-9-13-5-6-19(8-13)15(22)17-7-12-1-3-14(4-2-12)20-11-16-10-18-20/h1-4,10-11,13,21H,5-9H2,(H,17,22)
InChIKeyQQZDOAPMCJVTDQ-UHFFFAOYSA-N
XLogP0.79
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-hydroxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidine-1-carboxamide
CID 110901464
N-[(4-chlorophenyl)methyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111440705
3-(hydroxymethyl)-N-[(1-phenylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
CID 111443610
2-ethyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]thiomorpholine-4-carboxamide
CID 71868517
(2S)-2-ethyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]thiomorpholine-4-carboxamide
CID 95930549
N-(2,3-dihydro-1H-inden-5-ylmethyl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111443750
N-[(4-cyclohexyloxyphenyl)methyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111443943
(2S)-3-cyclohexyl-2-hydroxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]propanamide
CID 129433174
3-(hydroxymethyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]piperidine-1-carboxamide
CID 47016169
3,3-difluoro-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]cyclopentane-1-carboxamide
CID 136539200
N-[(4-tert-butylphenyl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 110910288
3,5-dichloro-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyridine-4-carboxamide
CID 167814570

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidine-1-carboxamide?
The IUPAC name of 3-(hydroxymethyl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidine-1-carboxamide (CID 111443773) is 3-(hydroxymethyl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(hydroxymethyl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(hydroxymethyl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidine-1-carboxamide is O=C(NCc1ccc(-n2cncn2)cc1)N1CCC(CO)C1.
What is the InChIKey of 3-(hydroxymethyl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidine-1-carboxamide?
The InChIKey is QQZDOAPMCJVTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c21-9-13-5-6-19(8-13)15(22)17-7-12-1-3-14(4-2-12)20-11-16-10-18-20/h1-4,10-11,13,21H,5-9H2,(H,17,22).
What are the key properties of 3-(hydroxymethyl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidine-1-carboxamide?
3-(hydroxymethyl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidine-1-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 111443773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).