N-methoxy-1-propan-2-ylpyrazole-4-carboxamide

C8H13N3O2 — CID 130683619

IUPACN-methoxy-1-propan-2-ylpyrazole-4-carboxamide
SMILESCONC(=O)c1cnn(C(C)C)c1
InChIInChI=1S/C8H13N3O2/c1-6(2)11-5-7(4-9-11)8(12)10-13-3/h4-6H,1-3H3,(H,10,12)
InChIKeyBVSPPAIPQSLSBE-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.76
Rot. Bonds3

About N-methoxy-1-propan-2-ylpyrazole-4-carboxamide

N-methoxy-1-propan-2-ylpyrazole-4-carboxamide (PubChem CID 130683619) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is N-methoxy-1-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-methoxy-1-propan-2-ylpyrazole-4-carboxamide
PubChem CID130683619
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC NameN-methoxy-1-propan-2-ylpyrazole-4-carboxamide
SMILESCONC(=O)c1cnn(C(C)C)c1
InChIInChI=1S/C8H13N3O2/c1-6(2)11-5-7(4-9-11)8(12)10-13-3/h4-6H,1-3H3,(H,10,12)
InChIKeyBVSPPAIPQSLSBE-UHFFFAOYSA-N
XLogP0.76
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,1-di(propan-2-yl)pyrazole-4-carboxamide
CID 177272297
methyl 1-propan-2-ylpyrazole-4-carboxylate
CID 55291716
ethyl 3-oxo-3-(1-propan-2-ylpyrazol-4-yl)propanoate
CID 83814581
N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-1-propan-2-ylpyrazole-4-carboxamide
CID 100906688
N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-1-propan-2-ylpyrazole-4-carboxamide
CID 156585287
2,2,2-trichloro-1-(1-propan-2-ylpyrazol-4-yl)ethanone
CID 56760728
N-[4-(3-phenylpropanoylamino)phenyl]-1-propan-2-ylpyrazole-4-carboxamide
CID 131905156
methyl 3-(4-carbamoylpyrazol-1-yl)butanoate
CID 62828712
N-[1-(3-methoxyphenyl)cyclopentyl]-1-propan-2-ylpyrazole-4-carboxamide
CID 16668235
N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-1-propan-2-ylpyrazole-4-carboxamide
CID 70736184
N-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazole-4-carboxamide
CID 62904126
N-[[(1S,3R)-3-(hydroxymethyl)cyclohexyl]methyl]-1-propan-2-ylpyrazole-4-carboxamide
CID 126808268

Frequently Asked Questions

What is the IUPAC name of N-methoxy-1-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-methoxy-1-propan-2-ylpyrazole-4-carboxamide (CID 130683619) is N-methoxy-1-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-methoxy-1-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-methoxy-1-propan-2-ylpyrazole-4-carboxamide is CONC(=O)c1cnn(C(C)C)c1.
What is the InChIKey of N-methoxy-1-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is BVSPPAIPQSLSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-6(2)11-5-7(4-9-11)8(12)10-13-3/h4-6H,1-3H3,(H,10,12).
What are the key properties of N-methoxy-1-propan-2-ylpyrazole-4-carboxamide?
N-methoxy-1-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 183.21 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 130683619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).