[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone

C19H19N5O — CID 146092927

IUPAC[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone
SMILESCn1cnc(-c2ccc(C(=O)N3CCC(c4cccnc4)C3)cc2)n1
InChIInChI=1S/C19H19N5O/c1-23-13-21-18(22-23)14-4-6-15(7-5-14)19(25)24-10-8-17(12-24)16-3-2-9-20-11-16/h2-7,9,11,13,17H,8,10,12H2,1H3
InChIKeyLPCHRSORPGDTIR-UHFFFAOYSA-N
MW333.40 g/mol
LogP2.51
Rot. Bonds3

About [4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone

[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone (PubChem CID 146092927) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is [4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone
PubChem CID146092927
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC Name[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone
SMILESCn1cnc(-c2ccc(C(=O)N3CCC(c4cccnc4)C3)cc2)n1
InChIInChI=1S/C19H19N5O/c1-23-13-21-18(22-23)14-4-6-15(7-5-14)19(25)24-10-8-17(12-24)16-3-2-9-20-11-16/h2-7,9,11,13,17H,8,10,12H2,1H3
InChIKeyLPCHRSORPGDTIR-UHFFFAOYSA-N
XLogP2.51
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-iodophenyl)-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone
CID 96537371
(3-pyridin-3-ylpyrrolidin-1-yl)-(4-quinolin-3-ylphenyl)methanone
CID 46846484
(4-pyrazol-1-ylphenyl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 67389917
(3-pyridin-3-ylpyrrolidin-1-yl)-[4-[4-(trifluoromethoxymethyl)phenyl]phenyl]methanone
CID 46846478
[4-[1-hydroxy-2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]propyl]phenyl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 134080726
[4-(4-ethoxy-3-methylphenyl)-2-methylphenyl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 67435954
[4-[3,5-bis(trifluoromethyl)phenyl]-3-(trifluoromethoxy)phenyl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 87382116
1-(4-pyridin-3-ylpiperidin-1-yl)ethanone
CID 129301457
(3-pyridin-3-ylpiperidin-1-yl)-(6-pyrrol-1-yl-3-pyridinyl)methanone
CID 154843398
(3-pyridin-3-ylpyrrolidin-1-yl)-[3-pyrimidin-5-yl-4-[4-(2,2,2-trifluoroethoxy)phenyl]phenyl]methanone
CID 46847226
[4-[3,5-bis(trifluoromethyl)phenyl]-3-pyridin-3-ylphenyl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 46846683
(2-fluoro-5-methylphenyl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 138002342

Frequently Asked Questions

What is the IUPAC name of [4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone?
The IUPAC name of [4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone (CID 146092927) is [4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for [4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone is Cn1cnc(-c2ccc(C(=O)N3CCC(c4cccnc4)C3)cc2)n1.
What is the InChIKey of [4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone?
The InChIKey is LPCHRSORPGDTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c1-23-13-21-18(22-23)14-4-6-15(7-5-14)19(25)24-10-8-17(12-24)16-3-2-9-20-11-16/h2-7,9,11,13,17H,8,10,12H2,1H3.
What are the key properties of [4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone?
[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone has a molecular weight of 333.40 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 146092927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).