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

C9H15N3O — CID 19281043

IUPAC1-ethyl-N-propan-2-ylpyrazole-4-carboxamide
SMILESCCn1cc(C(=O)NC(C)C)cn1
InChIInChI=1S/C9H15N3O/c1-4-12-6-8(5-10-12)9(13)11-7(2)3/h5-7H,4H2,1-3H3,(H,11,13)
InChIKeyMDCPBCQLTPGIQR-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.04
Rot. Bonds3

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

1-ethyl-N-propan-2-ylpyrazole-4-carboxamide (PubChem CID 19281043) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 1-ethyl-N-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-propan-2-ylpyrazole-4-carboxamide
PubChem CID19281043
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name1-ethyl-N-propan-2-ylpyrazole-4-carboxamide
SMILESCCn1cc(C(=O)NC(C)C)cn1
InChIInChI=1S/C9H15N3O/c1-4-12-6-8(5-10-12)9(13)11-7(2)3/h5-7H,4H2,1-3H3,(H,11,13)
InChIKeyMDCPBCQLTPGIQR-UHFFFAOYSA-N
XLogP1.04
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-ethylpyrazol-4-yl)ethanone
CID 4912928
1-ethyl-N-(3-hydroxy-4-methylpentyl)pyrazole-4-carboxamide
CID 111460800
1-ethyl-N-[1-(2-methoxyphenoxy)propan-2-yl]pyrazole-4-carboxamide
CID 75371639
N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-1-ethylpyrazole-4-carboxamide
CID 125159643
1-ethyl-N-(2-hydroxy-2,3-dimethylbutyl)pyrazole-4-carboxamide
CID 111484338
N,1-di(propan-2-yl)pyrazole-4-carboxamide
CID 177272297
1-ethyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrazole-4-carboxamide
CID 45179322
2-[4-[[1-ethyl-3-(propan-2-ylcarbamoyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid
CID 19500798
1-methyl-N-propan-2-ylpyrazole-4-carboxamide;molecular hydrogen
CID 169175366
N-(2-amino-2-methylpropyl)-1-ethylpyrazole-4-carboxamide
CID 119627511
3-[4-[[1-ethyl-3-(propan-2-ylcarbamoyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19471418
N,N-di(butan-2-yl)-1-ethylpyrazole-4-carboxamide
CID 75523998

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of 1-ethyl-N-propan-2-ylpyrazole-4-carboxamide (CID 19281043) is 1-ethyl-N-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-ethyl-N-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-ethyl-N-propan-2-ylpyrazole-4-carboxamide is CCn1cc(C(=O)NC(C)C)cn1.
What is the InChIKey of 1-ethyl-N-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is MDCPBCQLTPGIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-4-12-6-8(5-10-12)9(13)11-7(2)3/h5-7H,4H2,1-3H3,(H,11,13).
What are the key properties of 1-ethyl-N-propan-2-ylpyrazole-4-carboxamide?
1-ethyl-N-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 181.24 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 19281043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).