[2-[4-(1H-pyrazol-4-yl)phenyl]-4-pyridinyl]-pyrrolidin-1-ylmethanone

C19H18N4O — CID 121494580

IUPAC[2-[4-(1H-pyrazol-4-yl)phenyl]-4-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccnc(-c2ccc(-c3cn[nH]c3)cc2)c1)N1CCCC1
InChIInChI=1S/C19H18N4O/c24-19(23-9-1-2-10-23)16-7-8-20-18(11-16)15-5-3-14(4-6-15)17-12-21-22-13-17/h3-8,11-13H,1-2,9-10H2,(H,21,22)
InChIKeyKURHLJGDCVFEAG-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.37
Rot. Bonds3

About [2-[4-(1H-pyrazol-4-yl)phenyl]-4-pyridinyl]-pyrrolidin-1-ylmethanone

[2-[4-(1H-pyrazol-4-yl)phenyl]-4-pyridinyl]-pyrrolidin-1-ylmethanone (PubChem CID 121494580) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is [2-[4-(1H-pyrazol-4-yl)phenyl]-4-pyridinyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-[4-(1H-pyrazol-4-yl)phenyl]-4-pyridinyl]-pyrrolidin-1-ylmethanone
PubChem CID121494580
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Name[2-[4-(1H-pyrazol-4-yl)phenyl]-4-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccnc(-c2ccc(-c3cn[nH]c3)cc2)c1)N1CCCC1
InChIInChI=1S/C19H18N4O/c24-19(23-9-1-2-10-23)16-7-8-20-18(11-16)15-5-3-14(4-6-15)17-12-21-22-13-17/h3-8,11-13H,1-2,9-10H2,(H,21,22)
InChIKeyKURHLJGDCVFEAG-UHFFFAOYSA-N
XLogP3.37
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[6-(1H-pyrazol-4-yl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 3931667
methyl 2-(1H-pyrazol-4-yl)pyridine-4-carboxylate
CID 170171280
[2-(5-amino-3-pyridinyl)-4-pyridinyl]-piperidin-1-ylmethanone
CID 74232037
[2-[3-(1H-pyrazol-5-yl)phenyl]-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 28881895
(4-methylsulfonyl-1,4-diazepan-1-yl)-[3-(1H-pyrazol-4-yl)phenyl]methanone
CID 74238732
(3-methylpiperidin-1-yl)-[3-(1H-pyrazol-4-yl)phenyl]methanone
CID 110486725
[2-(azepane-1-carbonyl)-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109080392
azetidin-1-yl(1H-pyrazol-4-yl)methanone
CID 130157927
[2-(4-aminopiperidin-1-yl)-4-pyridinyl]-[4-(1H-pyrazol-4-yl)phenyl]methanone
CID 162705912
piperidin-1-yl-[6-(1H-pyrazol-4-yl)pyrazin-2-yl]methanone
CID 74237335
[2-[4-(morpholine-4-carbonyl)-2-pyridinyl]-4-pyridinyl]-morpholin-4-ylmethanone
CID 171623322
4-(1H-pyrazol-4-yl)pyridine-2-carboxylic acid
CID 82404796

Frequently Asked Questions

What is the IUPAC name of [2-[4-(1H-pyrazol-4-yl)phenyl]-4-pyridinyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-[4-(1H-pyrazol-4-yl)phenyl]-4-pyridinyl]-pyrrolidin-1-ylmethanone (CID 121494580) is [2-[4-(1H-pyrazol-4-yl)phenyl]-4-pyridinyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-[4-(1H-pyrazol-4-yl)phenyl]-4-pyridinyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-[4-(1H-pyrazol-4-yl)phenyl]-4-pyridinyl]-pyrrolidin-1-ylmethanone is O=C(c1ccnc(-c2ccc(-c3cn[nH]c3)cc2)c1)N1CCCC1.
What is the InChIKey of [2-[4-(1H-pyrazol-4-yl)phenyl]-4-pyridinyl]-pyrrolidin-1-ylmethanone?
The InChIKey is KURHLJGDCVFEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c24-19(23-9-1-2-10-23)16-7-8-20-18(11-16)15-5-3-14(4-6-15)17-12-21-22-13-17/h3-8,11-13H,1-2,9-10H2,(H,21,22).
What are the key properties of [2-[4-(1H-pyrazol-4-yl)phenyl]-4-pyridinyl]-pyrrolidin-1-ylmethanone?
[2-[4-(1H-pyrazol-4-yl)phenyl]-4-pyridinyl]-pyrrolidin-1-ylmethanone has a molecular weight of 318.38 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(1H-pyrazol-4-yl)phenyl]-4-pyridinyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 121494580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).