N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-4-pyrazol-1-ylpiperidine-4-carboxamide

C19H24ClN5O2 — CID 120929446

IUPACN-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)CCNC(=O)C1(n2cccn2)CCNCC1
InChIInChI=1S/C19H24ClN5O2/c1-14-15(20)4-2-5-16(14)24-17(26)6-10-22-18(27)19(7-11-21-12-8-19)25-13-3-9-23-25/h2-5,9,13,21H,6-8,10-12H2,1H3,(H,22,27)(H,24,26)
InChIKeyGSRBHUHHNDBXEB-UHFFFAOYSA-N
MW389.89 g/mol
LogP2.07
Rot. Bonds6

About N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-4-pyrazol-1-ylpiperidine-4-carboxamide

N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-4-pyrazol-1-ylpiperidine-4-carboxamide (PubChem CID 120929446) has the molecular formula C19H24ClN5O2 and a molecular weight of 389.89 g/mol. Its IUPAC name is N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-4-pyrazol-1-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
PubChem CID120929446
Molecular FormulaC19H24ClN5O2
Molecular Weight389.89 g/mol
Exact Mass389.16
IUPAC NameN-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)CCNC(=O)C1(n2cccn2)CCNCC1
InChIInChI=1S/C19H24ClN5O2/c1-14-15(20)4-2-5-16(14)24-17(26)6-10-22-18(27)19(7-11-21-12-8-19)25-13-3-9-23-25/h2-5,9,13,21H,6-8,10-12H2,1H3,(H,22,27)(H,24,26)
InChIKeyGSRBHUHHNDBXEB-UHFFFAOYSA-N
XLogP2.07
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.89
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(naphthalen-1-ylamino)-2-oxoethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120930278
N-[3-oxo-3-(propan-2-ylamino)propyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120921332
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120918698
N-[2-(2,6-dichlorophenyl)-2-methylpropyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120931395
1-amino-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]cyclohexane-1-carboxamide;hydrochloride
CID 119311030
N-[3-(butanoylamino)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120924327
N-[2-(2-methylphenoxy)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120926962
N-(2-hydroxyphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120943007
N,N'-bis(3-chloro-2-methylphenyl)butanediamide
CID 1226548
2-chloro-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]benzamide
CID 7915102
N-(2-phenoxyethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120918777
N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120941529

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The IUPAC name of N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-4-pyrazol-1-ylpiperidine-4-carboxamide (CID 120929446) is N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-4-pyrazol-1-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-4-pyrazol-1-ylpiperidine-4-carboxamide is Cc1c(Cl)cccc1NC(=O)CCNC(=O)C1(n2cccn2)CCNCC1.
What is the InChIKey of N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The InChIKey is GSRBHUHHNDBXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN5O2/c1-14-15(20)4-2-5-16(14)24-17(26)6-10-22-18(27)19(7-11-21-12-8-19)25-13-3-9-23-25/h2-5,9,13,21H,6-8,10-12H2,1H3,(H,22,27)(H,24,26).
What are the key properties of N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-4-pyrazol-1-ylpiperidine-4-carboxamide has a molecular weight of 389.89 g/mol, XLogP of 2.07, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-4-pyrazol-1-ylpiperidine-4-carboxamide is sourced from PubChem (CID 120929446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).