N-[3-chloro-4-[2-(3,5-dimethylpyrazol-1-yl)propanoylamino]phenyl]pyrrolidine-2-carboxamide;hydrochloride

C19H25Cl2N5O2 — CID 119303061

IUPACN-[3-chloro-4-[2-(3,5-dimethylpyrazol-1-yl)propanoylamino]phenyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCc1cc(C)n(C(C)C(=O)Nc2ccc(NC(=O)C3CCCN3)cc2Cl)n1.Cl
InChIInChI=1S/C19H24ClN5O2.ClH/c1-11-9-12(2)25(24-11)13(3)18(26)23-16-7-6-14(10-15(16)20)22-19(27)17-5-4-8-21-17;/h6-7,9-10,13,17,21H,4-5,8H2,1-3H3,(H,22,27)(H,23,26);1H
InChIKeyRTXUUJMOCFAMHW-UHFFFAOYSA-N
MW426.35 g/mol
LogP3.47
Rot. Bonds5

About N-[3-chloro-4-[2-(3,5-dimethylpyrazol-1-yl)propanoylamino]phenyl]pyrrolidine-2-carboxamide;hydrochloride

N-[3-chloro-4-[2-(3,5-dimethylpyrazol-1-yl)propanoylamino]phenyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119303061) has the molecular formula C19H25Cl2N5O2 and a molecular weight of 426.35 g/mol. Its IUPAC name is N-[3-chloro-4-[2-(3,5-dimethylpyrazol-1-yl)propanoylamino]phenyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-chloro-4-[2-(3,5-dimethylpyrazol-1-yl)propanoylamino]phenyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119303061
Molecular FormulaC19H25Cl2N5O2
Molecular Weight426.35 g/mol
Exact Mass425.14
IUPAC NameN-[3-chloro-4-[2-(3,5-dimethylpyrazol-1-yl)propanoylamino]phenyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCc1cc(C)n(C(C)C(=O)Nc2ccc(NC(=O)C3CCCN3)cc2Cl)n1.Cl
InChIInChI=1S/C19H24ClN5O2.ClH/c1-11-9-12(2)25(24-11)13(3)18(26)23-16-7-6-14(10-15(16)20)22-19(27)17-5-4-8-21-17;/h6-7,9-10,13,17,21H,4-5,8H2,1-3H3,(H,22,27)(H,23,26);1H
InChIKeyRTXUUJMOCFAMHW-UHFFFAOYSA-N
XLogP3.47
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.35
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-[3-chloro-4-[[(2S)-2-(3,5-dimethylpyrazol-1-yl)propanoyl]amino]phenyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 95349759
N-(3,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride
CID 42943662
(2R)-N-[3-chloro-4-(methanesulfonamido)phenyl]pyrrolidine-2-carboxamide
CID 104900746
N-(3-chloro-4-methylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119262099
N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119294776
N-[3-chloro-4-[2-(3,5-dimethylpyrazol-1-yl)propanoylamino]phenyl]-2-methylquinoline-4-carboxamide
CID 60588887
(2S)-N-(2-chloro-4-methylphenyl)pyrrolidine-2-carboxamide
CID 28881291
N-[3-chloro-4-(methanesulfonamido)phenyl]piperidine-2-carboxamide
CID 43711061
N-(4-chloro-3-fluorophenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119281092
N-[3-chloro-4-[[(2S)-2-(3,5-dimethylpyrazol-1-yl)propanoyl]amino]phenyl]-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide
CID 95248007
N-[3-chloro-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]pyrrolidine-2-carboxamide
CID 119310193
N-(5-acetamido-2-chlorophenyl)pyrrolidine-2-carboxamide
CID 119280739

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-[2-(3,5-dimethylpyrazol-1-yl)propanoylamino]phenyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[3-chloro-4-[2-(3,5-dimethylpyrazol-1-yl)propanoylamino]phenyl]pyrrolidine-2-carboxamide;hydrochloride (CID 119303061) is N-[3-chloro-4-[2-(3,5-dimethylpyrazol-1-yl)propanoylamino]phenyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-chloro-4-[2-(3,5-dimethylpyrazol-1-yl)propanoylamino]phenyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[3-chloro-4-[2-(3,5-dimethylpyrazol-1-yl)propanoylamino]phenyl]pyrrolidine-2-carboxamide;hydrochloride is Cc1cc(C)n(C(C)C(=O)Nc2ccc(NC(=O)C3CCCN3)cc2Cl)n1.Cl.
What is the InChIKey of N-[3-chloro-4-[2-(3,5-dimethylpyrazol-1-yl)propanoylamino]phenyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is RTXUUJMOCFAMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN5O2.ClH/c1-11-9-12(2)25(24-11)13(3)18(26)23-16-7-6-14(10-15(16)20)22-19(27)17-5-4-8-21-17;/h6-7,9-10,13,17,21H,4-5,8H2,1-3H3,(H,22,27)(H,23,26);1H.
What are the key properties of N-[3-chloro-4-[2-(3,5-dimethylpyrazol-1-yl)propanoylamino]phenyl]pyrrolidine-2-carboxamide;hydrochloride?
N-[3-chloro-4-[2-(3,5-dimethylpyrazol-1-yl)propanoylamino]phenyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 426.35 g/mol, XLogP of 3.47, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-[2-(3,5-dimethylpyrazol-1-yl)propanoylamino]phenyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119303061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).