N-(3-methoxypropyl)-2-methylpyrazole-3-carboxamide

C9H15N3O2 — CID 19475749

IUPACN-(3-methoxypropyl)-2-methylpyrazole-3-carboxamide
SMILESCOCCCNC(=O)c1ccnn1C
InChIInChI=1S/C9H15N3O2/c1-12-8(4-6-11-12)9(13)10-5-3-7-14-2/h4,6H,3,5,7H2,1-2H3,(H,10,13)
InChIKeyJTWFYVKFJMEZMW-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.19
Rot. Bonds5

About N-(3-methoxypropyl)-2-methylpyrazole-3-carboxamide

N-(3-methoxypropyl)-2-methylpyrazole-3-carboxamide (PubChem CID 19475749) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-methylpyrazole-3-carboxamide
PubChem CID19475749
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC NameN-(3-methoxypropyl)-2-methylpyrazole-3-carboxamide
SMILESCOCCCNC(=O)c1ccnn1C
InChIInChI=1S/C9H15N3O2/c1-12-8(4-6-11-12)9(13)10-5-3-7-14-2/h4,6H,3,5,7H2,1-2H3,(H,10,13)
InChIKeyJTWFYVKFJMEZMW-UHFFFAOYSA-N
XLogP0.19
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(3-methoxypropyl)-2-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-(3-chloropropyl)-2-methylpyrazole-3-carboxamide
CID 17167946
N-(3-amino-4-methoxybutyl)-2-methylpyrazole-3-carboxamide
CID 106243123
N-(4-bromopentyl)-2-methylpyrazole-3-carboxamide
CID 106130377
N-(3-azidopropyl)-2-methylpyrazole-3-carboxamide
CID 61344724
N-(5-hydroxy-4-methylpentyl)-2-methylpyrazole-3-carboxamide
CID 103862125
2-methyl-N-[2-(4-methylphenyl)ethyl]pyrazole-3-carboxamide
CID 112528913
2-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pyrazole-3-carboxamide
CID 110467157
N-(3-methoxypropyl)-2-methyltriazole-4-carboxamide
CID 110691359
2-methoxy-3-[(2-methylpyrazole-3-carbonyl)amino]propanoic acid
CID 106107552
5-amino-N-(3-methoxypropyl)-1-methylpyrazole-4-carboxamide
CID 82547322
2-(difluoromethyl)-N-(2-methoxyethyl)pyrazole-3-carboxamide
CID 19506929
N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-2-methylpyrazole-3-carboxamide
CID 95127238

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-2-methylpyrazole-3-carboxamide (CID 19475749) is N-(3-methoxypropyl)-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-2-methylpyrazole-3-carboxamide is COCCCNC(=O)c1ccnn1C.
What is the InChIKey of N-(3-methoxypropyl)-2-methylpyrazole-3-carboxamide?
The InChIKey is JTWFYVKFJMEZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-12-8(4-6-11-12)9(13)10-5-3-7-14-2/h4,6H,3,5,7H2,1-2H3,(H,10,13).
What are the key properties of N-(3-methoxypropyl)-2-methylpyrazole-3-carboxamide?
N-(3-methoxypropyl)-2-methylpyrazole-3-carboxamide has a molecular weight of 197.24 g/mol, XLogP of 0.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 19475749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).