1-(3-chlorophenyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]-5-propan-2-ylpyrazole-4-carboxamide

C22H29ClN4O2 — CID 30855703

IUPAC1-(3-chlorophenyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]-5-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)C(=O)N1CCC(NC(=O)c2cnn(-c3cccc(Cl)c3)c2C(C)C)CC1
InChIInChI=1S/C22H29ClN4O2/c1-14(2)20-19(13-24-27(20)18-7-5-6-16(23)12-18)21(28)25-17-8-10-26(11-9-17)22(29)15(3)4/h5-7,12-15,17H,8-11H2,1-4H3,(H,25,28)
InChIKeyBDEVTWJXGNHRPS-UHFFFAOYSA-N
MW416.95 g/mol
LogP4.03
Rot. Bonds5

About 1-(3-chlorophenyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]-5-propan-2-ylpyrazole-4-carboxamide

1-(3-chlorophenyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]-5-propan-2-ylpyrazole-4-carboxamide (PubChem CID 30855703) has the molecular formula C22H29ClN4O2 and a molecular weight of 416.95 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]-5-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]-5-propan-2-ylpyrazole-4-carboxamide
PubChem CID30855703
Molecular FormulaC22H29ClN4O2
Molecular Weight416.95 g/mol
Exact Mass416.20
IUPAC Name1-(3-chlorophenyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]-5-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)C(=O)N1CCC(NC(=O)c2cnn(-c3cccc(Cl)c3)c2C(C)C)CC1
InChIInChI=1S/C22H29ClN4O2/c1-14(2)20-19(13-24-27(20)18-7-5-6-16(23)12-18)21(28)25-17-8-10-26(11-9-17)22(29)15(3)4/h5-7,12-15,17H,8-11H2,1-4H3,(H,25,28)
InChIKeyBDEVTWJXGNHRPS-UHFFFAOYSA-N
XLogP4.03
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.95
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1S,3R)-3-[[1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120676932
[1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 110885879
2-[4-[1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 30837385
N-[1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperidin-4-yl]benzamide
CID 46576774
1-(3-chlorophenyl)-N-methoxy-5-propan-2-ylpyrazole-4-carboxamide
CID 30838865
4-chloro-N-[1-(2-methylpropanoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 81230031
[1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-(3-hydroxypiperidin-1-yl)methanone
CID 110885866
1-(3-chlorophenyl)-N-cyclopropyl-5-ethylpyrazole-4-carboxamide
CID 31900860
1-(3-chlorophenyl)-5-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide
CID 119511365
5-chloro-2-methoxy-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
CID 32541177
1-(3-chlorophenyl)-N-(2-methyl-4-pyridinyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 112816075
4-chloro-N-[1-(2-methylpropanoyl)piperidin-4-yl]pyridine-2-carboxamide
CID 32584074

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]-5-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]-5-propan-2-ylpyrazole-4-carboxamide (CID 30855703) is 1-(3-chlorophenyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]-5-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]-5-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]-5-propan-2-ylpyrazole-4-carboxamide is CC(C)C(=O)N1CCC(NC(=O)c2cnn(-c3cccc(Cl)c3)c2C(C)C)CC1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]-5-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is BDEVTWJXGNHRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29ClN4O2/c1-14(2)20-19(13-24-27(20)18-7-5-6-16(23)12-18)21(28)25-17-8-10-26(11-9-17)22(29)15(3)4/h5-7,12-15,17H,8-11H2,1-4H3,(H,25,28).
What are the key properties of 1-(3-chlorophenyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]-5-propan-2-ylpyrazole-4-carboxamide?
1-(3-chlorophenyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]-5-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 416.95 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]-5-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 30855703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).