N,N-di(butan-2-yl)-1-ethylpyrazole-4-carboxamide

C14H25N3O — CID 75523998

IUPACN,N-di(butan-2-yl)-1-ethylpyrazole-4-carboxamide
SMILESCCC(C)N(C(=O)c1cnn(CC)c1)C(C)CC
InChIInChI=1S/C14H25N3O/c1-6-11(4)17(12(5)7-2)14(18)13-9-15-16(8-3)10-13/h9-12H,6-8H2,1-5H3
InChIKeyPQMWNHZSANQVJG-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.94
Rot. Bonds6

About N,N-di(butan-2-yl)-1-ethylpyrazole-4-carboxamide

N,N-di(butan-2-yl)-1-ethylpyrazole-4-carboxamide (PubChem CID 75523998) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N,N-di(butan-2-yl)-1-ethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN,N-di(butan-2-yl)-1-ethylpyrazole-4-carboxamide
PubChem CID75523998
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN,N-di(butan-2-yl)-1-ethylpyrazole-4-carboxamide
SMILESCCC(C)N(C(=O)c1cnn(CC)c1)C(C)CC
InChIInChI=1S/C14H25N3O/c1-6-11(4)17(12(5)7-2)14(18)13-9-15-16(8-3)10-13/h9-12H,6-8H2,1-5H3
InChIKeyPQMWNHZSANQVJG-UHFFFAOYSA-N
XLogP2.94
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-ethylpyrazol-4-yl)ethanone
CID 4912928
1-ethyl-N-propan-2-ylpyrazole-4-carboxamide
CID 19281043
1-(1-ethylpyrazol-4-yl)-2-methylpentan-1-one
CID 114964401
3-amino-1-(1-ethylpyrazol-4-yl)-2-methylpropan-1-one
CID 116564365
3-[(1-ethylpyrazole-4-carbonyl)-methylamino]propanoic acid
CID 115731312
3-(dimethylamino)-1-(1-ethylpyrazol-4-yl)prop-2-en-1-one
CID 42573729
1-(1-ethylpyrazol-4-yl)-3,3-dimethylbutan-1-one
CID 63891496
(E)-4-(1-ethylpyrazol-4-yl)pent-3-en-2-one
CID 103970881
1-ethyl-N-(3-hydroxy-4-methylpentyl)pyrazole-4-carboxamide
CID 111460800
4-[(1-ethylpyrazole-4-carbonyl)-methylamino]butanoic acid
CID 119173115
cyclooctyl-(1-ethylpyrazol-4-yl)methanone
CID 80602225
N-(3-carbamoyl-2-methylpentan-3-yl)-1-ethylpyrazole-4-carboxamide
CID 75519336

Frequently Asked Questions

What is the IUPAC name of N,N-di(butan-2-yl)-1-ethylpyrazole-4-carboxamide?
The IUPAC name of N,N-di(butan-2-yl)-1-ethylpyrazole-4-carboxamide (CID 75523998) is N,N-di(butan-2-yl)-1-ethylpyrazole-4-carboxamide.
What is the SMILES notation for N,N-di(butan-2-yl)-1-ethylpyrazole-4-carboxamide?
The canonical SMILES for N,N-di(butan-2-yl)-1-ethylpyrazole-4-carboxamide is CCC(C)N(C(=O)c1cnn(CC)c1)C(C)CC.
What is the InChIKey of N,N-di(butan-2-yl)-1-ethylpyrazole-4-carboxamide?
The InChIKey is PQMWNHZSANQVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-6-11(4)17(12(5)7-2)14(18)13-9-15-16(8-3)10-13/h9-12H,6-8H2,1-5H3.
What are the key properties of N,N-di(butan-2-yl)-1-ethylpyrazole-4-carboxamide?
N,N-di(butan-2-yl)-1-ethylpyrazole-4-carboxamide has a molecular weight of 251.37 g/mol, XLogP of 2.94, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-di(butan-2-yl)-1-ethylpyrazole-4-carboxamide is sourced from PubChem (CID 75523998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).