N-[(2S)-2-hydroxypropyl]-1-methylpyrazole-3-carboxamide

C8H13N3O2 — CID 103884663

IUPACN-[(2S)-2-hydroxypropyl]-1-methylpyrazole-3-carboxamide
SMILESC[C@H](O)CNC(=O)c1ccn(C)n1
InChIInChI=1S/C8H13N3O2/c1-6(12)5-9-8(13)7-3-4-11(2)10-7/h3-4,6,12H,5H2,1-2H3,(H,9,13)/t6-/m0/s1
InChIKeyPWDPDVQSTQZTFZ-LURJTMIESA-N
MW183.21 g/mol
LogP-0.47
Rot. Bonds3

About N-[(2S)-2-hydroxypropyl]-1-methylpyrazole-3-carboxamide

N-[(2S)-2-hydroxypropyl]-1-methylpyrazole-3-carboxamide (PubChem CID 103884663) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is N-[(2S)-2-hydroxypropyl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxypropyl]-1-methylpyrazole-3-carboxamide
PubChem CID103884663
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC NameN-[(2S)-2-hydroxypropyl]-1-methylpyrazole-3-carboxamide
SMILESC[C@H](O)CNC(=O)c1ccn(C)n1
InChIInChI=1S/C8H13N3O2/c1-6(12)5-9-8(13)7-3-4-11(2)10-7/h3-4,6,12H,5H2,1-2H3,(H,9,13)/t6-/m0/s1
InChIKeyPWDPDVQSTQZTFZ-LURJTMIESA-N
XLogP-0.47
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-2-hydroxypropyl]-1-methylpyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-amino-3-hydroxybutyl)-1-methylpyrazole-3-carboxamide
CID 103120826
N-(2-chloro-3-methylbutyl)-1-methylpyrazole-3-carboxamide
CID 103122874
N-[2-(4-fluorophenyl)propyl]-1-methylpyrazole-3-carboxamide
CID 110279490
N-(4-amino-2-ethylbutyl)-1-methylpyrazole-3-carboxamide
CID 103123157
N-[(2R)-butan-2-yl]-1-methylpyrazole-3-carboxamide
CID 35763827
N-[(2S)-butan-2-yl]-1-methylpyrazole-3-carboxamide
CID 35763828
N-(1-chloropropan-2-yl)-1-methylpyrazole-3-carboxamide
CID 103122581
N-(2-amino-2-sulfanylideneethyl)-1-methylpyrazole-3-carboxamide
CID 103117884
N-(2-hydroxypropyl)-1-(4-nitrophenyl)pyrazole-3-carboxamide
CID 43501192
N-(1,3-dihydroxypropan-2-yl)-1-methylpyrazole-3-carboxamide
CID 104580688
1-methyl-N-(3-oxopentan-2-yl)pyrazole-3-carboxamide
CID 103118084
N-(2-cyanoethyl)-1-methylpyrazole-3-carboxamide
CID 103117795

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxypropyl]-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-[(2S)-2-hydroxypropyl]-1-methylpyrazole-3-carboxamide (CID 103884663) is N-[(2S)-2-hydroxypropyl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(2S)-2-hydroxypropyl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[(2S)-2-hydroxypropyl]-1-methylpyrazole-3-carboxamide is C[C@H](O)CNC(=O)c1ccn(C)n1.
What is the InChIKey of N-[(2S)-2-hydroxypropyl]-1-methylpyrazole-3-carboxamide?
The InChIKey is PWDPDVQSTQZTFZ-LURJTMIESA-N. The full InChI is InChI=1S/C8H13N3O2/c1-6(12)5-9-8(13)7-3-4-11(2)10-7/h3-4,6,12H,5H2,1-2H3,(H,9,13)/t6-/m0/s1.
What are the key properties of N-[(2S)-2-hydroxypropyl]-1-methylpyrazole-3-carboxamide?
N-[(2S)-2-hydroxypropyl]-1-methylpyrazole-3-carboxamide has a molecular weight of 183.21 g/mol, XLogP of -0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxypropyl]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 103884663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).