(2S)-2-pyrrol-1-yl-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]propanamide

C15H15N5O — CID 129381815

IUPAC(2S)-2-pyrrol-1-yl-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]propanamide
SMILESC[C@@H](C(=O)Nc1cccc(-c2ncn[nH]2)c1)n1cccc1
InChIInChI=1S/C15H15N5O/c1-11(20-7-2-3-8-20)15(21)18-13-6-4-5-12(9-13)14-16-10-17-19-14/h2-11H,1H3,(H,18,21)(H,16,17,19)/t11-/m0/s1
InChIKeyOZHYMNMBYVXEEP-NSHDSACASA-N
MW281.32 g/mol
LogP2.47
Rot. Bonds4

About (2S)-2-pyrrol-1-yl-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]propanamide

(2S)-2-pyrrol-1-yl-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]propanamide (PubChem CID 129381815) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is (2S)-2-pyrrol-1-yl-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-pyrrol-1-yl-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]propanamide
PubChem CID129381815
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name(2S)-2-pyrrol-1-yl-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]propanamide
SMILESC[C@@H](C(=O)Nc1cccc(-c2ncn[nH]2)c1)n1cccc1
InChIInChI=1S/C15H15N5O/c1-11(20-7-2-3-8-20)15(21)18-13-6-4-5-12(9-13)14-16-10-17-19-14/h2-11H,1H3,(H,18,21)(H,16,17,19)/t11-/m0/s1
InChIKeyOZHYMNMBYVXEEP-NSHDSACASA-N
XLogP2.47
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methylsulfanyl-2-pyrrol-1-yl-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]butanamide
CID 121239991
2-pyrrol-1-yl-N-(1H-1,2,4-triazol-5-yl)propanamide
CID 121240807
N-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyridine-2-carboxamide
CID 136525639
(2R)-2-phenyl-2-(tetrazol-1-yl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]acetamide
CID 97264834
2-phenoxy-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]propanamide
CID 22479879
4-methylsulfanyl-2-pyrrol-1-yl-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]butanamide
CID 121238787
2-(3,5-dimethylpyrazol-1-yl)-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]propanamide
CID 56787187
2,3,4-trifluoro-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]benzamide
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N-[(2R)-4-pyrazol-1-ylbutan-2-yl]-3-(1H-1,2,4-triazol-5-yl)aniline
CID 97342089
2-ethoxy-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]benzamide
CID 136525651
5-methyl-1-phenyl-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyrazole-4-carboxamide
CID 136525797
3-(methoxymethyl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of (2S)-2-pyrrol-1-yl-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]propanamide?
The IUPAC name of (2S)-2-pyrrol-1-yl-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]propanamide (CID 129381815) is (2S)-2-pyrrol-1-yl-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]propanamide.
What is the SMILES notation for (2S)-2-pyrrol-1-yl-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]propanamide?
The canonical SMILES for (2S)-2-pyrrol-1-yl-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]propanamide is C[C@@H](C(=O)Nc1cccc(-c2ncn[nH]2)c1)n1cccc1.
What is the InChIKey of (2S)-2-pyrrol-1-yl-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]propanamide?
The InChIKey is OZHYMNMBYVXEEP-NSHDSACASA-N. The full InChI is InChI=1S/C15H15N5O/c1-11(20-7-2-3-8-20)15(21)18-13-6-4-5-12(9-13)14-16-10-17-19-14/h2-11H,1H3,(H,18,21)(H,16,17,19)/t11-/m0/s1.
What are the key properties of (2S)-2-pyrrol-1-yl-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]propanamide?
(2S)-2-pyrrol-1-yl-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]propanamide has a molecular weight of 281.32 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-pyrrol-1-yl-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]propanamide is sourced from PubChem (CID 129381815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).