[1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazol-4-yl]-piperazin-1-ylmethanone

C18H21ClN4O — CID 119402776

IUPAC[1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazol-4-yl]-piperazin-1-ylmethanone
SMILESCc1ccc(-n2ncc(C(=O)N3CCNCC3)c2C2CC2)cc1Cl
InChIInChI=1S/C18H21ClN4O/c1-12-2-5-14(10-16(12)19)23-17(13-3-4-13)15(11-21-23)18(24)22-8-6-20-7-9-22/h2,5,10-11,13,20H,3-4,6-9H2,1H3
InChIKeyVZDOBOYHLXWMMM-UHFFFAOYSA-N
MW344.85 g/mol
LogP2.76
Rot. Bonds3

About [1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazol-4-yl]-piperazin-1-ylmethanone

[1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazol-4-yl]-piperazin-1-ylmethanone (PubChem CID 119402776) has the molecular formula C18H21ClN4O and a molecular weight of 344.85 g/mol. Its IUPAC name is [1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazol-4-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazol-4-yl]-piperazin-1-ylmethanone
PubChem CID119402776
Molecular FormulaC18H21ClN4O
Molecular Weight344.85 g/mol
Exact Mass344.14
IUPAC Name[1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazol-4-yl]-piperazin-1-ylmethanone
SMILESCc1ccc(-n2ncc(C(=O)N3CCNCC3)c2C2CC2)cc1Cl
InChIInChI=1S/C18H21ClN4O/c1-12-2-5-14(10-16(12)19)23-17(13-3-4-13)15(11-21-23)18(24)22-8-6-20-7-9-22/h2,5,10-11,13,20H,3-4,6-9H2,1H3
InChIKeyVZDOBOYHLXWMMM-UHFFFAOYSA-N
XLogP2.76
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.85
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazol-4-yl]methanone
CID 120656709
1-[4-[1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazole-4-carbonyl]piperazin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 55802149
[(3R)-3-aminopyrrolidin-1-yl]-[1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazol-4-yl]methanone
CID 119412250
(3S,4S)-1-[1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazole-4-carbonyl]-4-methylpyrrolidine-3-carboxylic acid
CID 120952735
(3R)-1-[1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazole-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 124698115
2-[4-[1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazole-4-carbonyl]piperazin-1-yl]-N,N-diethylacetamide
CID 38425533
[1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazol-4-yl]-[4-(3-hydroxypropoxy)piperidin-1-yl]methanone
CID 71853509
1-(3-chloro-4-methylphenyl)-N-(3,4-dimethylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20867343
1-(3-chloro-4-methylphenyl)-N-(2,5-dimethylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20924089
1-(3-chloro-4-methylphenyl)-N-(2,3-dimethylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20867340
1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-[2-(methylamino)ethyl]pyrazole-4-carboxamide
CID 119503054
1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide
CID 119513306

Frequently Asked Questions

What is the IUPAC name of [1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazol-4-yl]-piperazin-1-ylmethanone?
The IUPAC name of [1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazol-4-yl]-piperazin-1-ylmethanone (CID 119402776) is [1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazol-4-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for [1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazol-4-yl]-piperazin-1-ylmethanone?
The canonical SMILES for [1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazol-4-yl]-piperazin-1-ylmethanone is Cc1ccc(-n2ncc(C(=O)N3CCNCC3)c2C2CC2)cc1Cl.
What is the InChIKey of [1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazol-4-yl]-piperazin-1-ylmethanone?
The InChIKey is VZDOBOYHLXWMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O/c1-12-2-5-14(10-16(12)19)23-17(13-3-4-13)15(11-21-23)18(24)22-8-6-20-7-9-22/h2,5,10-11,13,20H,3-4,6-9H2,1H3.
What are the key properties of [1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazol-4-yl]-piperazin-1-ylmethanone?
[1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazol-4-yl]-piperazin-1-ylmethanone has a molecular weight of 344.85 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazol-4-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 119402776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).