1-[2-[(1R)-1-hydroxyethyl]phenyl]-N-methylpyrazole-3-carboxamide

C13H15N3O2 — CID 79001114

IUPAC1-[2-[(1R)-1-hydroxyethyl]phenyl]-N-methylpyrazole-3-carboxamide
SMILESCNC(=O)c1ccn(-c2ccccc2[C@@H](C)O)n1
InChIInChI=1S/C13H15N3O2/c1-9(17)10-5-3-4-6-12(10)16-8-7-11(15-16)13(18)14-2/h3-9,17H,1-2H3,(H,14,18)/t9-/m1/s1
InChIKeyLRKXKIBFTUUMIN-SECBINFHSA-N
MW245.28 g/mol
LogP1.29
Rot. Bonds3

About 1-[2-[(1R)-1-hydroxyethyl]phenyl]-N-methylpyrazole-3-carboxamide

1-[2-[(1R)-1-hydroxyethyl]phenyl]-N-methylpyrazole-3-carboxamide (PubChem CID 79001114) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 1-[2-[(1R)-1-hydroxyethyl]phenyl]-N-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[2-[(1R)-1-hydroxyethyl]phenyl]-N-methylpyrazole-3-carboxamide
PubChem CID79001114
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name1-[2-[(1R)-1-hydroxyethyl]phenyl]-N-methylpyrazole-3-carboxamide
SMILESCNC(=O)c1ccn(-c2ccccc2[C@@H](C)O)n1
InChIInChI=1S/C13H15N3O2/c1-9(17)10-5-3-4-6-12(10)16-8-7-11(15-16)13(18)14-2/h3-9,17H,1-2H3,(H,14,18)/t9-/m1/s1
InChIKeyLRKXKIBFTUUMIN-SECBINFHSA-N
XLogP1.29
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1-hydroxyethyl)phenyl]-N,N-dimethylpyrazole-3-carboxamide
CID 64781358
1-[2-(1-aminopropyl)phenyl]-N-methylpyrazole-3-carboxamide
CID 112678365
2-[3-(methylcarbamoyl)pyrazol-1-yl]benzoic acid
CID 64781141
N-methyl-1-[2-[(2-methylpropylamino)methyl]phenyl]pyrazole-3-carboxamide
CID 64781367
1-(2-carbamothioylphenyl)-N-methylpyrazole-3-carboxamide
CID 64780767
1-[3-chloro-4-(1-hydroxyethyl)phenyl]-N-methylpyrazole-3-carboxamide
CID 64780401
1-[2-(1-aminoethyl)-3-fluorophenyl]-N-methylpyrazole-3-carboxamide
CID 64780581
1-[4-amino-2-(difluoromethyl)phenyl]-N-methylpyrazole-3-carboxamide
CID 64780167
1-[5-bromo-2-[1-(ethylamino)ethyl]phenyl]-N-methylpyrazole-3-carboxamide
CID 82953548
1-[2-(aminomethyl)-3-bromophenyl]-N-methylpyrazole-3-carboxamide
CID 114879828
1-[2-bromo-4-[1-(methylamino)ethyl]phenyl]-N-methylpyrazole-3-carboxamide
CID 64780776
1-(2-carbamothioyl-3-fluorophenyl)-N-methylpyrazole-3-carboxamide
CID 79519509

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1R)-1-hydroxyethyl]phenyl]-N-methylpyrazole-3-carboxamide?
The IUPAC name of 1-[2-[(1R)-1-hydroxyethyl]phenyl]-N-methylpyrazole-3-carboxamide (CID 79001114) is 1-[2-[(1R)-1-hydroxyethyl]phenyl]-N-methylpyrazole-3-carboxamide.
What is the SMILES notation for 1-[2-[(1R)-1-hydroxyethyl]phenyl]-N-methylpyrazole-3-carboxamide?
The canonical SMILES for 1-[2-[(1R)-1-hydroxyethyl]phenyl]-N-methylpyrazole-3-carboxamide is CNC(=O)c1ccn(-c2ccccc2[C@@H](C)O)n1.
What is the InChIKey of 1-[2-[(1R)-1-hydroxyethyl]phenyl]-N-methylpyrazole-3-carboxamide?
The InChIKey is LRKXKIBFTUUMIN-SECBINFHSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-9(17)10-5-3-4-6-12(10)16-8-7-11(15-16)13(18)14-2/h3-9,17H,1-2H3,(H,14,18)/t9-/m1/s1.
What are the key properties of 1-[2-[(1R)-1-hydroxyethyl]phenyl]-N-methylpyrazole-3-carboxamide?
1-[2-[(1R)-1-hydroxyethyl]phenyl]-N-methylpyrazole-3-carboxamide has a molecular weight of 245.28 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1R)-1-hydroxyethyl]phenyl]-N-methylpyrazole-3-carboxamide is sourced from PubChem (CID 79001114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).