2-anilino-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone

C16H20N4O — CID 119877957

IUPAC2-anilino-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
SMILESCn1cc(C2CCCN2C(=O)CNc2ccccc2)cn1
InChIInChI=1S/C16H20N4O/c1-19-12-13(10-18-19)15-8-5-9-20(15)16(21)11-17-14-6-3-2-4-7-14/h2-4,6-7,10,12,15,17H,5,8-9,11H2,1H3
InChIKeyYZQJSAGTGYVFAX-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.20
Rot. Bonds4

About 2-anilino-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone

2-anilino-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone (PubChem CID 119877957) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-anilino-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-anilino-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
PubChem CID119877957
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name2-anilino-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
SMILESCn1cc(C2CCCN2C(=O)CNc2ccccc2)cn1
InChIInChI=1S/C16H20N4O/c1-19-12-13(10-18-19)15-8-5-9-20(15)16(21)11-17-14-6-3-2-4-7-14/h2-4,6-7,10,12,15,17H,5,8-9,11H2,1H3
InChIKeyYZQJSAGTGYVFAX-UHFFFAOYSA-N
XLogP2.20
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-anilino-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone;dihydrochloride
CID 119877956
2-anilino-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 119687297
2-(2-fluorophenyl)-1-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 95569592
3,3-dicyclopropyl-1-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]propan-1-one
CID 95348351
2-[3-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-3-oxopropyl]isoindole-1,3-dione
CID 86888161
2-(benzotriazol-1-yl)-1-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 95569415
1-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-4-pyridin-2-ylbutan-1-one
CID 95321611
2-imidazo[1,2-a]pyridin-2-yl-1-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 95319617
1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-2-piperidin-4-ylethanone
CID 119877965
N-[[4-[2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]phenyl]methyl]acetamide
CID 56825059
2-(4-methoxyphenyl)-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 56825079
2-(4-methoxyphenyl)-1-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 95569574

Frequently Asked Questions

What is the IUPAC name of 2-anilino-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-anilino-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone (CID 119877957) is 2-anilino-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-anilino-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-anilino-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone is Cn1cc(C2CCCN2C(=O)CNc2ccccc2)cn1.
What is the InChIKey of 2-anilino-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is YZQJSAGTGYVFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-19-12-13(10-18-19)15-8-5-9-20(15)16(21)11-17-14-6-3-2-4-7-14/h2-4,6-7,10,12,15,17H,5,8-9,11H2,1H3.
What are the key properties of 2-anilino-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone?
2-anilino-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 284.36 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 119877957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).