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

C16H22Cl2N4O — CID 119877956

IUPAC2-anilino-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone;dihydrochloride
SMILESCl.Cl.Cn1cc(C2CCCN2C(=O)CNc2ccccc2)cn1
InChIInChI=1S/C16H20N4O.2ClH/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;2*1H
InChIKeyCWLMKTJDRQIJDS-UHFFFAOYSA-N
MW357.29 g/mol
LogP3.04
Rot. Bonds4

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

2-anilino-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone;dihydrochloride (PubChem CID 119877956) has the molecular formula C16H22Cl2N4O and a molecular weight of 357.29 g/mol. Its IUPAC name is 2-anilino-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone;dihydrochloride.

Molecular Properties

Compound Name2-anilino-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone;dihydrochloride
PubChem CID119877956
Molecular FormulaC16H22Cl2N4O
Molecular Weight357.29 g/mol
Exact Mass356.12
IUPAC Name2-anilino-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone;dihydrochloride
SMILESCl.Cl.Cn1cc(C2CCCN2C(=O)CNc2ccccc2)cn1
InChIInChI=1S/C16H20N4O.2ClH/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;2*1H
InChIKeyCWLMKTJDRQIJDS-UHFFFAOYSA-N
XLogP3.04
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.29
LogP ≤ 53.04
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
CID 119877957
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
[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]-(2-phenylpyrrolidin-1-yl)methanone;hydrochloride
CID 120920591
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

Frequently Asked Questions

What is the IUPAC name of 2-anilino-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone;dihydrochloride?
The IUPAC name of 2-anilino-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone;dihydrochloride (CID 119877956) is 2-anilino-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone;dihydrochloride.
What is the SMILES notation for 2-anilino-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone;dihydrochloride?
The canonical SMILES for 2-anilino-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone;dihydrochloride is Cl.Cl.Cn1cc(C2CCCN2C(=O)CNc2ccccc2)cn1.
What is the InChIKey of 2-anilino-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone;dihydrochloride?
The InChIKey is CWLMKTJDRQIJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O.2ClH/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;2*1H.
What are the key properties of 2-anilino-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone;dihydrochloride?
2-anilino-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone;dihydrochloride has a molecular weight of 357.29 g/mol, XLogP of 3.04, 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;dihydrochloride is sourced from PubChem (CID 119877956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).