[2-[3-(1H-pyrazol-5-yl)phenyl]-4-pyridinyl]-pyrrolidin-1-ylmethanone

C19H18N4O — CID 28881895

IUPAC[2-[3-(1H-pyrazol-5-yl)phenyl]-4-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccnc(-c2cccc(-c3ccn[nH]3)c2)c1)N1CCCC1
InChIInChI=1S/C19H18N4O/c24-19(23-10-1-2-11-23)16-6-8-20-18(13-16)15-5-3-4-14(12-15)17-7-9-21-22-17/h3-9,12-13H,1-2,10-11H2,(H,21,22)
InChIKeyVRJUHRLTIQIGTI-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.37
Rot. Bonds3

About [2-[3-(1H-pyrazol-5-yl)phenyl]-4-pyridinyl]-pyrrolidin-1-ylmethanone

[2-[3-(1H-pyrazol-5-yl)phenyl]-4-pyridinyl]-pyrrolidin-1-ylmethanone (PubChem CID 28881895) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is [2-[3-(1H-pyrazol-5-yl)phenyl]-4-pyridinyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-[3-(1H-pyrazol-5-yl)phenyl]-4-pyridinyl]-pyrrolidin-1-ylmethanone
PubChem CID28881895
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Name[2-[3-(1H-pyrazol-5-yl)phenyl]-4-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccnc(-c2cccc(-c3ccn[nH]3)c2)c1)N1CCCC1
InChIInChI=1S/C19H18N4O/c24-19(23-10-1-2-11-23)16-6-8-20-18(13-16)15-5-3-4-14(12-15)17-7-9-21-22-17/h3-9,12-13H,1-2,10-11H2,(H,21,22)
InChIKeyVRJUHRLTIQIGTI-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

(4-hydroxypiperidin-1-yl)-[3-(1H-pyrazol-5-yl)phenyl]methanone
CID 119070239
[3-[4-(5-piperazin-1-yl-1H-pyrrol-2-yl)-2-pyridinyl]phenyl]-pyrrolidin-1-ylmethanone
CID 141199773
[2-[4-(1H-pyrazol-4-yl)phenyl]-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 121494580
[1-[3-(4-amino-2-pyridinyl)benzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 119064242
N-[3-(1H-pyrazol-5-yl)phenyl]azepane-1-carboxamide
CID 79157648
3-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 71189662
[3-(3-hydroxyphenyl)phenyl]-pyrrolidin-1-ylmethanone
CID 53218719
[2-(5-amino-3-pyridinyl)-4-pyridinyl]-piperidin-1-ylmethanone
CID 74232037
azepan-1-yl-[3-(4-methylphenyl)phenyl]methanone
CID 126484488
6-chloro-1'-[3-(1H-pyrazol-5-yl)benzoyl]spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one
CID 59144570
1-piperidin-1-yl-2-[4-[4-(1H-pyrazol-5-yl)benzoyl]piperazin-1-yl]ethanone
CID 72935900
6-bromo-7-methyl-1'-[3-(1H-pyrazol-5-yl)benzoyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 69071495

Frequently Asked Questions

What is the IUPAC name of [2-[3-(1H-pyrazol-5-yl)phenyl]-4-pyridinyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-[3-(1H-pyrazol-5-yl)phenyl]-4-pyridinyl]-pyrrolidin-1-ylmethanone (CID 28881895) is [2-[3-(1H-pyrazol-5-yl)phenyl]-4-pyridinyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-[3-(1H-pyrazol-5-yl)phenyl]-4-pyridinyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-[3-(1H-pyrazol-5-yl)phenyl]-4-pyridinyl]-pyrrolidin-1-ylmethanone is O=C(c1ccnc(-c2cccc(-c3ccn[nH]3)c2)c1)N1CCCC1.
What is the InChIKey of [2-[3-(1H-pyrazol-5-yl)phenyl]-4-pyridinyl]-pyrrolidin-1-ylmethanone?
The InChIKey is VRJUHRLTIQIGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c24-19(23-10-1-2-11-23)16-6-8-20-18(13-16)15-5-3-4-14(12-15)17-7-9-21-22-17/h3-9,12-13H,1-2,10-11H2,(H,21,22).
What are the key properties of [2-[3-(1H-pyrazol-5-yl)phenyl]-4-pyridinyl]-pyrrolidin-1-ylmethanone?
[2-[3-(1H-pyrazol-5-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-[3-(1H-pyrazol-5-yl)phenyl]-4-pyridinyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 28881895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).