[6-(1H-pyrazol-4-yl)-3-pyridinyl]-pyrrolidin-1-ylmethanone

C13H14N4O — CID 3931667

IUPAC[6-(1H-pyrazol-4-yl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc(-c2cn[nH]c2)nc1)N1CCCC1
InChIInChI=1S/C13H14N4O/c18-13(17-5-1-2-6-17)10-3-4-12(14-7-10)11-8-15-16-9-11/h3-4,7-9H,1-2,5-6H2,(H,15,16)
InChIKeyOMDMBQLVAMSFSO-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.71
Rot. Bonds2

About [6-(1H-pyrazol-4-yl)-3-pyridinyl]-pyrrolidin-1-ylmethanone

[6-(1H-pyrazol-4-yl)-3-pyridinyl]-pyrrolidin-1-ylmethanone (PubChem CID 3931667) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is [6-(1H-pyrazol-4-yl)-3-pyridinyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[6-(1H-pyrazol-4-yl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
PubChem CID3931667
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name[6-(1H-pyrazol-4-yl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc(-c2cn[nH]c2)nc1)N1CCCC1
InChIInChI=1S/C13H14N4O/c18-13(17-5-1-2-6-17)10-3-4-12(14-7-10)11-8-15-16-9-11/h3-4,7-9H,1-2,5-6H2,(H,15,16)
InChIKeyOMDMBQLVAMSFSO-UHFFFAOYSA-N
XLogP1.71
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[4-(1H-pyrazol-4-yl)phenyl]-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 121494580
piperidin-1-yl-[6-(1H-pyrazol-4-yl)pyrazin-2-yl]methanone
CID 74237335
piperidin-1-yl-(6-thiophen-3-yl-3-pyridinyl)methanone
CID 53014233
[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 3487323
azetidin-1-yl(1H-pyrazol-4-yl)methanone
CID 130157927
(4-piperidin-1-ylpiperidin-1-yl)-(6-pyrimidin-5-yl-3-pyridinyl)methanone
CID 71841618
4-(6-phenylpyridine-3-carbonyl)piperazine-1-carbaldehyde
CID 110683635
(3-methylpiperidin-1-yl)-(6-phenyl-3-pyridinyl)methanone
CID 110683661
(4-methylsulfonyl-1,4-diazepan-1-yl)-[3-(1H-pyrazol-4-yl)phenyl]methanone
CID 74238732
pyrrolidin-1-yl-[6-[4-[2-(2-pyrrolidin-1-ylethyl)cyclopropyl]phenyl]-3-pyridinyl]methanone
CID 68849793
(3-methylpiperidin-1-yl)-[3-(1H-pyrazol-4-yl)phenyl]methanone
CID 110486725
[4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone
CID 3317192

Frequently Asked Questions

What is the IUPAC name of [6-(1H-pyrazol-4-yl)-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [6-(1H-pyrazol-4-yl)-3-pyridinyl]-pyrrolidin-1-ylmethanone (CID 3931667) is [6-(1H-pyrazol-4-yl)-3-pyridinyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [6-(1H-pyrazol-4-yl)-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [6-(1H-pyrazol-4-yl)-3-pyridinyl]-pyrrolidin-1-ylmethanone is O=C(c1ccc(-c2cn[nH]c2)nc1)N1CCCC1.
What is the InChIKey of [6-(1H-pyrazol-4-yl)-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The InChIKey is OMDMBQLVAMSFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c18-13(17-5-1-2-6-17)10-3-4-12(14-7-10)11-8-15-16-9-11/h3-4,7-9H,1-2,5-6H2,(H,15,16).
What are the key properties of [6-(1H-pyrazol-4-yl)-3-pyridinyl]-pyrrolidin-1-ylmethanone?
[6-(1H-pyrazol-4-yl)-3-pyridinyl]-pyrrolidin-1-ylmethanone has a molecular weight of 242.28 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(1H-pyrazol-4-yl)-3-pyridinyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 3931667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).