1-tert-butyl-N-ethyl-5-propan-2-ylpyrazole-4-carboxamide

C13H23N3O — CID 42669808

IUPAC1-tert-butyl-N-ethyl-5-propan-2-ylpyrazole-4-carboxamide
SMILESCCNC(=O)c1cnn(C(C)(C)C)c1C(C)C
InChIInChI=1S/C13H23N3O/c1-7-14-12(17)10-8-15-16(13(4,5)6)11(10)9(2)3/h8-9H,7H2,1-6H3,(H,14,17)
InChIKeyOJAJNPVFBWIOCE-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.51
Rot. Bonds3

About 1-tert-butyl-N-ethyl-5-propan-2-ylpyrazole-4-carboxamide

1-tert-butyl-N-ethyl-5-propan-2-ylpyrazole-4-carboxamide (PubChem CID 42669808) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 1-tert-butyl-N-ethyl-5-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-N-ethyl-5-propan-2-ylpyrazole-4-carboxamide
PubChem CID42669808
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name1-tert-butyl-N-ethyl-5-propan-2-ylpyrazole-4-carboxamide
SMILESCCNC(=O)c1cnn(C(C)(C)C)c1C(C)C
InChIInChI=1S/C13H23N3O/c1-7-14-12(17)10-8-15-16(13(4,5)6)11(10)9(2)3/h8-9H,7H2,1-6H3,(H,14,17)
InChIKeyOJAJNPVFBWIOCE-UHFFFAOYSA-N
XLogP2.51
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(4-Aminocyclohexyl)-5-methylpyrazol-4-yl]butan-1-one
CID 90105500
1-methyl-3-(propan-2-yl)-1H-pyrazole-4-carbaldehyde
CID 39869082
1-Methyl-5-(1-methylethyl)-1H-pyrazole-4-carboxaldehyde
CID 45095868
2-(1-(tert-butyl)-4-isopropyl-7-oxo-1H-pyrazolo[3,4-d]pyridazin-6(7H)-yl)-N-methylacetamide
CID 44037111
4-(1-Tert-butyl-5-ethylpyrazole-4-carbonyl)piperazin-2-one
CID 45830695
N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-5-methyl-1-propylpyrazole-4-carboxamide
CID 46968232
2-[1-(1-Tert-butyl-5-ethylpyrazole-4-carbonyl)piperidin-4-yl]acetamide
CID 53511115
2-[4-(1-Tert-butyl-5-ethylpyrazole-4-carbonyl)piperazin-1-yl]acetamide
CID 53526983
(1-Tert-butyl-5-ethylpyrazol-4-yl)-[3-(dimethylamino)piperidin-1-yl]methanone
CID 53541073
1-[4-(1-Tert-butyl-5-ethylpyrazole-4-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 56817790
N-[1-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-methyl-1-propyl-1H-pyrazole-4-carboxamide
CID 72874137
Ethyl 2-[(1-methyl-3-propylpyrazole-4-carbonyl)amino]acetate
CID 2808293

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-ethyl-5-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of 1-tert-butyl-N-ethyl-5-propan-2-ylpyrazole-4-carboxamide (CID 42669808) is 1-tert-butyl-N-ethyl-5-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-tert-butyl-N-ethyl-5-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-tert-butyl-N-ethyl-5-propan-2-ylpyrazole-4-carboxamide is CCNC(=O)c1cnn(C(C)(C)C)c1C(C)C.
What is the InChIKey of 1-tert-butyl-N-ethyl-5-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is OJAJNPVFBWIOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-7-14-12(17)10-8-15-16(13(4,5)6)11(10)9(2)3/h8-9H,7H2,1-6H3,(H,14,17).
What are the key properties of 1-tert-butyl-N-ethyl-5-propan-2-ylpyrazole-4-carboxamide?
1-tert-butyl-N-ethyl-5-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 237.35 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-ethyl-5-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 42669808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).