N-[5-(3-chloro-2-methylphenyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide

C19H25ClN4O — CID 59173854

IUPACN-[5-(3-chloro-2-methylphenyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide
SMILESCc1c(Cl)cccc1-c1cc(NC(=O)CCCN2CCCCC2)n[nH]1
InChIInChI=1S/C19H25ClN4O/c1-14-15(7-5-8-16(14)20)17-13-18(23-22-17)21-19(25)9-6-12-24-10-3-2-4-11-24/h5,7-8,13H,2-4,6,9-12H2,1H3,(H2,21,22,23,25)
InChIKeyAVSVWQKZPFSTNB-UHFFFAOYSA-N
MW360.89 g/mol
LogP4.24
Rot. Bonds6

About N-[5-(3-chloro-2-methylphenyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide

N-[5-(3-chloro-2-methylphenyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide (PubChem CID 59173854) has the molecular formula C19H25ClN4O and a molecular weight of 360.89 g/mol. Its IUPAC name is N-[5-(3-chloro-2-methylphenyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide.

Molecular Properties

Compound NameN-[5-(3-chloro-2-methylphenyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide
PubChem CID59173854
Molecular FormulaC19H25ClN4O
Molecular Weight360.89 g/mol
Exact Mass360.17
IUPAC NameN-[5-(3-chloro-2-methylphenyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide
SMILESCc1c(Cl)cccc1-c1cc(NC(=O)CCCN2CCCCC2)n[nH]1
InChIInChI=1S/C19H25ClN4O/c1-14-15(7-5-8-16(14)20)17-13-18(23-22-17)21-19(25)9-6-12-24-10-3-2-4-11-24/h5,7-8,13H,2-4,6,9-12H2,1H3,(H2,21,22,23,25)
InChIKeyAVSVWQKZPFSTNB-UHFFFAOYSA-N
XLogP4.24
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3-chloro-2-methylphenyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide?
The IUPAC name of N-[5-(3-chloro-2-methylphenyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide (CID 59173854) is N-[5-(3-chloro-2-methylphenyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide.
What is the SMILES notation for N-[5-(3-chloro-2-methylphenyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide?
The canonical SMILES for N-[5-(3-chloro-2-methylphenyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide is Cc1c(Cl)cccc1-c1cc(NC(=O)CCCN2CCCCC2)n[nH]1.
What is the InChIKey of N-[5-(3-chloro-2-methylphenyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide?
The InChIKey is AVSVWQKZPFSTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4O/c1-14-15(7-5-8-16(14)20)17-13-18(23-22-17)21-19(25)9-6-12-24-10-3-2-4-11-24/h5,7-8,13H,2-4,6,9-12H2,1H3,(H2,21,22,23,25).
What are the key properties of N-[5-(3-chloro-2-methylphenyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide?
N-[5-(3-chloro-2-methylphenyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide has a molecular weight of 360.89 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-chloro-2-methylphenyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide is sourced from PubChem (CID 59173854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).