1-(4-chlorophenyl)-N-(2-piperidin-3-ylethyl)-5-propan-2-ylpyrazole-4-carboxamide

C20H27ClN4O — CID 119556429

IUPAC1-(4-chlorophenyl)-N-(2-piperidin-3-ylethyl)-5-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)c1c(C(=O)NCCC2CCCNC2)cnn1-c1ccc(Cl)cc1
InChIInChI=1S/C20H27ClN4O/c1-14(2)19-18(13-24-25(19)17-7-5-16(21)6-8-17)20(26)23-11-9-15-4-3-10-22-12-15/h5-8,13-15,22H,3-4,9-12H2,1-2H3,(H,23,26)
InChIKeyCXNMFAGXTAQCGC-UHFFFAOYSA-N
MW374.92 g/mol
LogP3.77
Rot. Bonds6

About 1-(4-chlorophenyl)-N-(2-piperidin-3-ylethyl)-5-propan-2-ylpyrazole-4-carboxamide

1-(4-chlorophenyl)-N-(2-piperidin-3-ylethyl)-5-propan-2-ylpyrazole-4-carboxamide (PubChem CID 119556429) has the molecular formula C20H27ClN4O and a molecular weight of 374.92 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(2-piperidin-3-ylethyl)-5-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(2-piperidin-3-ylethyl)-5-propan-2-ylpyrazole-4-carboxamide
PubChem CID119556429
Molecular FormulaC20H27ClN4O
Molecular Weight374.92 g/mol
Exact Mass374.19
IUPAC Name1-(4-chlorophenyl)-N-(2-piperidin-3-ylethyl)-5-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)c1c(C(=O)NCCC2CCCNC2)cnn1-c1ccc(Cl)cc1
InChIInChI=1S/C20H27ClN4O/c1-14(2)19-18(13-24-25(19)17-7-5-16(21)6-8-17)20(26)23-11-9-15-4-3-10-22-12-15/h5-8,13-15,22H,3-4,9-12H2,1-2H3,(H,23,26)
InChIKeyCXNMFAGXTAQCGC-UHFFFAOYSA-N
XLogP3.77
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.92
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 119383145
1-(4-chlorophenyl)-N-(3-hydroxypropyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 78854387
1-(4-chlorophenyl)-N-(3-methylpiperidin-4-yl)-5-propan-2-ylpyrazole-4-carboxamide
CID 120557331
N-(2-benzamidoethyl)-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 31839795
N-(3-aminobutyl)-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide;hydrochloride
CID 119496336
4-chloro-N-(2-piperidin-3-ylethyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 63628711
1-tert-butyl-5-ethyl-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide
CID 119557093
3-chloro-N-(2-piperidin-3-ylethyl)pyridine-4-carboxamide;dihydrochloride
CID 119557407
1-(4-chlorophenyl)-N-[(2R)-2-(ethylamino)propyl]-5-propan-2-ylpyrazole-4-carboxamide;hydrochloride
CID 120651600
N-(2-anilino-2-oxoethyl)-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 55957523
1-(4-chlorophenyl)-N-[2-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 56546632
1-(4-chlorophenyl)-3-methyl-N-(2-pyrrolidin-3-ylethyl)pyrazole-4-carboxamide;hydrochloride
CID 119535760

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(2-piperidin-3-ylethyl)-5-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-(2-piperidin-3-ylethyl)-5-propan-2-ylpyrazole-4-carboxamide (CID 119556429) is 1-(4-chlorophenyl)-N-(2-piperidin-3-ylethyl)-5-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(2-piperidin-3-ylethyl)-5-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-(2-piperidin-3-ylethyl)-5-propan-2-ylpyrazole-4-carboxamide is CC(C)c1c(C(=O)NCCC2CCCNC2)cnn1-c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(2-piperidin-3-ylethyl)-5-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is CXNMFAGXTAQCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN4O/c1-14(2)19-18(13-24-25(19)17-7-5-16(21)6-8-17)20(26)23-11-9-15-4-3-10-22-12-15/h5-8,13-15,22H,3-4,9-12H2,1-2H3,(H,23,26).
What are the key properties of 1-(4-chlorophenyl)-N-(2-piperidin-3-ylethyl)-5-propan-2-ylpyrazole-4-carboxamide?
1-(4-chlorophenyl)-N-(2-piperidin-3-ylethyl)-5-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 374.92 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(2-piperidin-3-ylethyl)-5-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 119556429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).