1-[2-chloro-4-[1-(methylamino)ethyl]phenyl]pyrazole-3-carboxamide

C13H15ClN4O — CID 64780771

IUPAC1-[2-chloro-4-[1-(methylamino)ethyl]phenyl]pyrazole-3-carboxamide
SMILESCNC(C)c1ccc(-n2ccc(C(N)=O)n2)c(Cl)c1
InChIInChI=1S/C13H15ClN4O/c1-8(16-2)9-3-4-12(10(14)7-9)18-6-5-11(17-18)13(15)19/h3-8,16H,1-2H3,(H2,15,19)
InChIKeySHRCMMCXJANHNX-UHFFFAOYSA-N
MW278.74 g/mol
LogP1.90
Rot. Bonds4

About 1-[2-chloro-4-[1-(methylamino)ethyl]phenyl]pyrazole-3-carboxamide

1-[2-chloro-4-[1-(methylamino)ethyl]phenyl]pyrazole-3-carboxamide (PubChem CID 64780771) has the molecular formula C13H15ClN4O and a molecular weight of 278.74 g/mol. Its IUPAC name is 1-[2-chloro-4-[1-(methylamino)ethyl]phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[2-chloro-4-[1-(methylamino)ethyl]phenyl]pyrazole-3-carboxamide
PubChem CID64780771
Molecular FormulaC13H15ClN4O
Molecular Weight278.74 g/mol
Exact Mass278.09
IUPAC Name1-[2-chloro-4-[1-(methylamino)ethyl]phenyl]pyrazole-3-carboxamide
SMILESCNC(C)c1ccc(-n2ccc(C(N)=O)n2)c(Cl)c1
InChIInChI=1S/C13H15ClN4O/c1-8(16-2)9-3-4-12(10(14)7-9)18-6-5-11(17-18)13(15)19/h3-8,16H,1-2H3,(H2,15,19)
InChIKeySHRCMMCXJANHNX-UHFFFAOYSA-N
XLogP1.90
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-acetyl-2-chlorophenyl)pyrazole-3-carboxamide
CID 64780381
1-[2-bromo-4-[1-(methylamino)ethyl]phenyl]-N-methylpyrazole-3-carboxamide
CID 64780776
1-[2-fluoro-4-[(1S)-1-hydroxyethyl]phenyl]pyrazole-3-carboxamide
CID 64780589
1-[2-amino-4-(methylcarbamoyl)phenyl]pyrazole-3-carboxamide
CID 82999798
1-(4-amino-2-chlorophenyl)pyrazole-3-carboxylic acid
CID 125461571
1-[2-methyl-4-[(propan-2-ylamino)methyl]phenyl]pyrazole-3-carboxamide
CID 64782497
1-[2-fluoro-4-(methylaminomethyl)phenyl]pyrazole-3-carboxamide
CID 64782681
1-[3-chloro-4-(3-propan-2-ylpyrazol-1-yl)phenyl]ethanol
CID 55132278
1-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-N-methylethanamine
CID 55131292
1-[2-methyl-4-[(2-methylpropylamino)methyl]phenyl]pyrazole-3-carboxamide
CID 64780215
4-[2-chloro-4-[1-(methylamino)ethyl]phenyl]piperazine-2,6-dione
CID 66084332
1-[2-chloro-4-[1-(methylamino)ethyl]phenyl]-N-methylpiperidine-3-carboxamide
CID 103196369

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-[1-(methylamino)ethyl]phenyl]pyrazole-3-carboxamide?
The IUPAC name of 1-[2-chloro-4-[1-(methylamino)ethyl]phenyl]pyrazole-3-carboxamide (CID 64780771) is 1-[2-chloro-4-[1-(methylamino)ethyl]phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-[2-chloro-4-[1-(methylamino)ethyl]phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-[2-chloro-4-[1-(methylamino)ethyl]phenyl]pyrazole-3-carboxamide is CNC(C)c1ccc(-n2ccc(C(N)=O)n2)c(Cl)c1.
What is the InChIKey of 1-[2-chloro-4-[1-(methylamino)ethyl]phenyl]pyrazole-3-carboxamide?
The InChIKey is SHRCMMCXJANHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O/c1-8(16-2)9-3-4-12(10(14)7-9)18-6-5-11(17-18)13(15)19/h3-8,16H,1-2H3,(H2,15,19).
What are the key properties of 1-[2-chloro-4-[1-(methylamino)ethyl]phenyl]pyrazole-3-carboxamide?
1-[2-chloro-4-[1-(methylamino)ethyl]phenyl]pyrazole-3-carboxamide has a molecular weight of 278.74 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-4-[1-(methylamino)ethyl]phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 64780771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).