1-[3-chloro-4-(1-hydroxyethyl)phenyl]-N-methylpyrazole-3-carboxamide

C13H14ClN3O2 — CID 64780401

IUPAC1-[3-chloro-4-(1-hydroxyethyl)phenyl]-N-methylpyrazole-3-carboxamide
SMILESCNC(=O)c1ccn(-c2ccc(C(C)O)c(Cl)c2)n1
InChIInChI=1S/C13H14ClN3O2/c1-8(18)10-4-3-9(7-11(10)14)17-6-5-12(16-17)13(19)15-2/h3-8,18H,1-2H3,(H,15,19)
InChIKeyJQSBIJXTSWJLCP-UHFFFAOYSA-N
MW279.73 g/mol
LogP1.94
Rot. Bonds3

About 1-[3-chloro-4-(1-hydroxyethyl)phenyl]-N-methylpyrazole-3-carboxamide

1-[3-chloro-4-(1-hydroxyethyl)phenyl]-N-methylpyrazole-3-carboxamide (PubChem CID 64780401) has the molecular formula C13H14ClN3O2 and a molecular weight of 279.73 g/mol. Its IUPAC name is 1-[3-chloro-4-(1-hydroxyethyl)phenyl]-N-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[3-chloro-4-(1-hydroxyethyl)phenyl]-N-methylpyrazole-3-carboxamide
PubChem CID64780401
Molecular FormulaC13H14ClN3O2
Molecular Weight279.73 g/mol
Exact Mass279.08
IUPAC Name1-[3-chloro-4-(1-hydroxyethyl)phenyl]-N-methylpyrazole-3-carboxamide
SMILESCNC(=O)c1ccn(-c2ccc(C(C)O)c(Cl)c2)n1
InChIInChI=1S/C13H14ClN3O2/c1-8(18)10-4-3-9(7-11(10)14)17-6-5-12(16-17)13(19)15-2/h3-8,18H,1-2H3,(H,15,19)
InChIKeyJQSBIJXTSWJLCP-UHFFFAOYSA-N
XLogP1.94
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(1R)-1-hydroxyethyl]phenyl]-N-methylpyrazole-3-carboxamide
CID 79001114
1-[3-(1-aminoethyl)phenyl]-N-methylpyrazole-3-carboxamide
CID 79170438
1-[4-(2-aminopropyl)-3-methylphenyl]-N-methylpyrazole-3-carboxamide
CID 64780236
1-[6-(1-aminoethyl)-3-pyridinyl]-N-methylpyrazole-3-carboxamide
CID 83127022
N-(1-amino-4-methylpentan-2-yl)-1-(3,4-dichlorophenyl)pyrazole-3-carboxamide;hydrochloride
CID 119586641
1-[4-(aminomethyl)-3-bromophenyl]-N-methylpyrazole-3-carboxamide
CID 107275116
1-(3-bromo-4-carbamothioylphenyl)-N-methylpyrazole-3-carboxamide
CID 107278233
5-[3-(methylcarbamoyl)pyrazol-1-yl]-2-nitrobenzoic acid
CID 64780177
N-(6-chloropyridazin-3-yl)-1-(3,4-dichlorophenyl)pyrazole-3-carboxamide
CID 99123185
N-(1-aminopropan-2-yl)-1-(3,4-dichlorophenyl)-N-methylpyrazole-3-carboxamide;hydrochloride
CID 119582677
3-[[1-(3,4-dichlorophenyl)pyrazole-3-carbonyl]-methylamino]-2-methylpropanoic acid
CID 119228450
1-[4-cyano-3-(trifluoromethyl)phenyl]-N-methylpyrazole-3-carboxamide
CID 64782095

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-(1-hydroxyethyl)phenyl]-N-methylpyrazole-3-carboxamide?
The IUPAC name of 1-[3-chloro-4-(1-hydroxyethyl)phenyl]-N-methylpyrazole-3-carboxamide (CID 64780401) is 1-[3-chloro-4-(1-hydroxyethyl)phenyl]-N-methylpyrazole-3-carboxamide.
What is the SMILES notation for 1-[3-chloro-4-(1-hydroxyethyl)phenyl]-N-methylpyrazole-3-carboxamide?
The canonical SMILES for 1-[3-chloro-4-(1-hydroxyethyl)phenyl]-N-methylpyrazole-3-carboxamide is CNC(=O)c1ccn(-c2ccc(C(C)O)c(Cl)c2)n1.
What is the InChIKey of 1-[3-chloro-4-(1-hydroxyethyl)phenyl]-N-methylpyrazole-3-carboxamide?
The InChIKey is JQSBIJXTSWJLCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2/c1-8(18)10-4-3-9(7-11(10)14)17-6-5-12(16-17)13(19)15-2/h3-8,18H,1-2H3,(H,15,19).
What are the key properties of 1-[3-chloro-4-(1-hydroxyethyl)phenyl]-N-methylpyrazole-3-carboxamide?
1-[3-chloro-4-(1-hydroxyethyl)phenyl]-N-methylpyrazole-3-carboxamide has a molecular weight of 279.73 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-(1-hydroxyethyl)phenyl]-N-methylpyrazole-3-carboxamide is sourced from PubChem (CID 64780401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).