(3-pyridin-3-ylpyrrolidin-1-yl)-[3-(triazol-1-ylmethyl)phenyl]methanone

C19H19N5O — CID 166244720

IUPAC(3-pyridin-3-ylpyrrolidin-1-yl)-[3-(triazol-1-ylmethyl)phenyl]methanone
SMILESO=C(c1cccc(Cn2ccnn2)c1)N1CCC(c2cccnc2)C1
InChIInChI=1S/C19H19N5O/c25-19(23-9-6-18(14-23)17-5-2-7-20-12-17)16-4-1-3-15(11-16)13-24-10-8-21-22-24/h1-5,7-8,10-12,18H,6,9,13-14H2
InChIKeyTVEQRDUSMZHAJY-UHFFFAOYSA-N
MW333.40 g/mol
LogP2.35
Rot. Bonds4

About (3-pyridin-3-ylpyrrolidin-1-yl)-[3-(triazol-1-ylmethyl)phenyl]methanone

(3-pyridin-3-ylpyrrolidin-1-yl)-[3-(triazol-1-ylmethyl)phenyl]methanone (PubChem CID 166244720) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is (3-pyridin-3-ylpyrrolidin-1-yl)-[3-(triazol-1-ylmethyl)phenyl]methanone.

Molecular Properties

Compound Name(3-pyridin-3-ylpyrrolidin-1-yl)-[3-(triazol-1-ylmethyl)phenyl]methanone
PubChem CID166244720
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC Name(3-pyridin-3-ylpyrrolidin-1-yl)-[3-(triazol-1-ylmethyl)phenyl]methanone
SMILESO=C(c1cccc(Cn2ccnn2)c1)N1CCC(c2cccnc2)C1
InChIInChI=1S/C19H19N5O/c25-19(23-9-6-18(14-23)17-5-2-7-20-12-17)16-4-1-3-15(11-16)13-24-10-8-21-22-24/h1-5,7-8,10-12,18H,6,9,13-14H2
InChIKeyTVEQRDUSMZHAJY-UHFFFAOYSA-N
XLogP2.35
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1S,6R,7R)-3-[3-(triazol-1-ylmethyl)benzoyl]-3-azabicyclo[4.1.0]heptane-7-carboxylic acid;2,2,2-trifluoroacetic acid
CID 166254023
[3-(4-hydroxyphenyl)pyrrolidin-1-yl]-[3-(1,2,4-triazol-1-ylmethyl)phenyl]methanone
CID 166247244
(4-iodophenyl)-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone
CID 96537371
[3-(2-methoxyethoxy)phenyl]-(3-pyridin-3-ylpiperidin-1-yl)methanone
CID 126826318
(4-pyrazol-1-ylphenyl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 67389917
2-[(3S)-1-[3-(pyrazol-1-ylmethyl)benzoyl]pyrrolidin-3-yl]benzoic acid
CID 95724669
[3-(azepan-1-ylmethyl)phenyl]-[3-(4-fluorophenyl)pyrrolidin-1-yl]methanone
CID 135115736
(3-pyridin-3-ylazetidin-1-yl)-[3-(1,2,4-triazol-4-yl)phenyl]methanone
CID 72892102
1-(4-pyridin-3-ylpiperidin-1-yl)ethanone
CID 129301457
3-[1-[3-(pyrazol-1-ylmethyl)benzoyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 56719004
(3-pyridin-3-ylpyrrolidin-1-yl)-[4-[4-(trifluoromethoxymethyl)phenyl]phenyl]methanone
CID 46846478
(3-pyridin-3-ylpiperidin-1-yl)-(6-pyrrol-1-yl-3-pyridinyl)methanone
CID 154843398

Frequently Asked Questions

What is the IUPAC name of (3-pyridin-3-ylpyrrolidin-1-yl)-[3-(triazol-1-ylmethyl)phenyl]methanone?
The IUPAC name of (3-pyridin-3-ylpyrrolidin-1-yl)-[3-(triazol-1-ylmethyl)phenyl]methanone (CID 166244720) is (3-pyridin-3-ylpyrrolidin-1-yl)-[3-(triazol-1-ylmethyl)phenyl]methanone.
What is the SMILES notation for (3-pyridin-3-ylpyrrolidin-1-yl)-[3-(triazol-1-ylmethyl)phenyl]methanone?
The canonical SMILES for (3-pyridin-3-ylpyrrolidin-1-yl)-[3-(triazol-1-ylmethyl)phenyl]methanone is O=C(c1cccc(Cn2ccnn2)c1)N1CCC(c2cccnc2)C1.
What is the InChIKey of (3-pyridin-3-ylpyrrolidin-1-yl)-[3-(triazol-1-ylmethyl)phenyl]methanone?
The InChIKey is TVEQRDUSMZHAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c25-19(23-9-6-18(14-23)17-5-2-7-20-12-17)16-4-1-3-15(11-16)13-24-10-8-21-22-24/h1-5,7-8,10-12,18H,6,9,13-14H2.
What are the key properties of (3-pyridin-3-ylpyrrolidin-1-yl)-[3-(triazol-1-ylmethyl)phenyl]methanone?
(3-pyridin-3-ylpyrrolidin-1-yl)-[3-(triazol-1-ylmethyl)phenyl]methanone has a molecular weight of 333.40 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-pyridin-3-ylpyrrolidin-1-yl)-[3-(triazol-1-ylmethyl)phenyl]methanone is sourced from PubChem (CID 166244720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).