[3-(2-chlorophenyl)-1-methylpyrazol-4-yl]-[(3R)-3-methylpiperazin-1-yl]methanone

C16H19ClN4O — CID 124620567

IUPAC[3-(2-chlorophenyl)-1-methylpyrazol-4-yl]-[(3R)-3-methylpiperazin-1-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2cn(C)nc2-c2ccccc2Cl)CCN1
InChIInChI=1S/C16H19ClN4O/c1-11-9-21(8-7-18-11)16(22)13-10-20(2)19-15(13)12-5-3-4-6-14(12)17/h3-6,10-11,18H,7-9H2,1-2H3/t11-/m1/s1
InChIKeyBNFQBEOEZRWPEC-LLVKDONJSA-N
MW318.81 g/mol
LogP2.17
Rot. Bonds2

About [3-(2-chlorophenyl)-1-methylpyrazol-4-yl]-[(3R)-3-methylpiperazin-1-yl]methanone

[3-(2-chlorophenyl)-1-methylpyrazol-4-yl]-[(3R)-3-methylpiperazin-1-yl]methanone (PubChem CID 124620567) has the molecular formula C16H19ClN4O and a molecular weight of 318.81 g/mol. Its IUPAC name is [3-(2-chlorophenyl)-1-methylpyrazol-4-yl]-[(3R)-3-methylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name[3-(2-chlorophenyl)-1-methylpyrazol-4-yl]-[(3R)-3-methylpiperazin-1-yl]methanone
PubChem CID124620567
Molecular FormulaC16H19ClN4O
Molecular Weight318.81 g/mol
Exact Mass318.12
IUPAC Name[3-(2-chlorophenyl)-1-methylpyrazol-4-yl]-[(3R)-3-methylpiperazin-1-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2cn(C)nc2-c2ccccc2Cl)CCN1
InChIInChI=1S/C16H19ClN4O/c1-11-9-21(8-7-18-11)16(22)13-10-20(2)19-15(13)12-5-3-4-6-14(12)17/h3-6,10-11,18H,7-9H2,1-2H3/t11-/m1/s1
InChIKeyBNFQBEOEZRWPEC-LLVKDONJSA-N
XLogP2.17
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(2-methoxyphenyl)-1-methylpyrazol-4-yl]-[(3S)-3-methylpiperazin-1-yl]methanone
CID 124688381
[3-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]-[(3R)-3-methylpiperazin-1-yl]methanone
CID 124694982
[(3R)-3-aminopiperidin-1-yl]-[3-(2-chlorophenyl)-1-methylpyrazol-4-yl]methanone
CID 124594316
(2-chlorophenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81427998
(3S,4S)-1-[3-(2-chlorophenyl)-1-methylpyrazole-4-carbonyl]-4-methylpyrrolidine-3-carboxylic acid
CID 120952941
2-[4-[3-(2-chlorophenyl)-1-methylpyrazole-4-carbonyl]morpholin-2-yl]acetic acid
CID 119248246
[3-(1-aminoethyl)piperidin-1-yl]-[3-(2-chlorophenyl)-1-methylpyrazol-4-yl]methanone;hydrochloride
CID 119596816
1-[3-(2-chlorophenyl)-1-methylpyrazole-4-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119256786
(1-benzyl-3-phenylpyrazol-4-yl)-(3-methylpiperazin-1-yl)methanone
CID 119576322
(2-chlorophenyl)-(3-methyl-1,4-diazepan-1-yl)methanone
CID 82245120
(2,3-dichlorophenyl)-(3-methylpiperazin-1-yl)methanone
CID 65449557
3-(2-chlorophenyl)-1-methyl-N-(2-methylpiperidin-4-yl)pyrazole-4-carboxamide;hydrochloride
CID 120597925

Frequently Asked Questions

What is the IUPAC name of [3-(2-chlorophenyl)-1-methylpyrazol-4-yl]-[(3R)-3-methylpiperazin-1-yl]methanone?
The IUPAC name of [3-(2-chlorophenyl)-1-methylpyrazol-4-yl]-[(3R)-3-methylpiperazin-1-yl]methanone (CID 124620567) is [3-(2-chlorophenyl)-1-methylpyrazol-4-yl]-[(3R)-3-methylpiperazin-1-yl]methanone.
What is the SMILES notation for [3-(2-chlorophenyl)-1-methylpyrazol-4-yl]-[(3R)-3-methylpiperazin-1-yl]methanone?
The canonical SMILES for [3-(2-chlorophenyl)-1-methylpyrazol-4-yl]-[(3R)-3-methylpiperazin-1-yl]methanone is C[C@@H]1CN(C(=O)c2cn(C)nc2-c2ccccc2Cl)CCN1.
What is the InChIKey of [3-(2-chlorophenyl)-1-methylpyrazol-4-yl]-[(3R)-3-methylpiperazin-1-yl]methanone?
The InChIKey is BNFQBEOEZRWPEC-LLVKDONJSA-N. The full InChI is InChI=1S/C16H19ClN4O/c1-11-9-21(8-7-18-11)16(22)13-10-20(2)19-15(13)12-5-3-4-6-14(12)17/h3-6,10-11,18H,7-9H2,1-2H3/t11-/m1/s1.
What are the key properties of [3-(2-chlorophenyl)-1-methylpyrazol-4-yl]-[(3R)-3-methylpiperazin-1-yl]methanone?
[3-(2-chlorophenyl)-1-methylpyrazol-4-yl]-[(3R)-3-methylpiperazin-1-yl]methanone has a molecular weight of 318.81 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-chlorophenyl)-1-methylpyrazol-4-yl]-[(3R)-3-methylpiperazin-1-yl]methanone is sourced from PubChem (CID 124620567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).