N,4-diethylpyrazole-1-carboxamide

C8H13N3O — CID 155403649

IUPACN,4-diethylpyrazole-1-carboxamide
SMILESCCNC(=O)n1cc(CC)cn1
InChIInChI=1S/C8H13N3O/c1-3-7-5-10-11(6-7)8(12)9-4-2/h5-6H,3-4H2,1-2H3,(H,9,12)
InChIKeyOQVYYCPOUDYLAW-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.02
Rot. Bonds2

About N,4-diethylpyrazole-1-carboxamide

N,4-diethylpyrazole-1-carboxamide (PubChem CID 155403649) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is N,4-diethylpyrazole-1-carboxamide.

Molecular Properties

Compound NameN,4-diethylpyrazole-1-carboxamide
PubChem CID155403649
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC NameN,4-diethylpyrazole-1-carboxamide
SMILESCCNC(=O)n1cc(CC)cn1
InChIInChI=1S/C8H13N3O/c1-3-7-5-10-11(6-7)8(12)9-4-2/h5-6H,3-4H2,1-2H3,(H,9,12)
InChIKeyOQVYYCPOUDYLAW-UHFFFAOYSA-N
XLogP1.02
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethylpyrazole-1-carboxylic acid
CID 21320246
N-butyl-4-chloropyrazole-1-carboxamide
CID 17365614
4-methyl-N-[(4-methylphenyl)methyl]pyrazole-1-carboxamide
CID 118709050
1,4-diethylpyrazole;ethane
CID 143641951
N-[2-(4-ethylpyrazol-1-yl)ethyl]buta-2,3-dienamide
CID 176519548
3-(4-ethylpyrazol-1-yl)-2-methyl-2-(methylamino)propanoic acid
CID 165475243
N-ethyl-4-(2-hydroxy-1-phenyl-2H-pyridin-5-yl)pyrazole-1-carboxamide
CID 129093326
4-[(4-ethylpyrazol-1-yl)methyl]benzoic acid
CID 130219911
ethane;4-ethyl-1-methylpyrazole
CID 143829284
1-(ethylamino)-3-(1-ethylpyrazol-4-yl)propan-2-one
CID 116562677
1-N,4-N-diethyl-3,6-dimethyl-1,2,4,5-tetrazine-1,4-dicarboxamide
CID 71487731
2-amino-5-(4-ethylpyrazol-1-yl)-2-methylpentanoic acid
CID 165495298

Frequently Asked Questions

What is the IUPAC name of N,4-diethylpyrazole-1-carboxamide?
The IUPAC name of N,4-diethylpyrazole-1-carboxamide (CID 155403649) is N,4-diethylpyrazole-1-carboxamide.
What is the SMILES notation for N,4-diethylpyrazole-1-carboxamide?
The canonical SMILES for N,4-diethylpyrazole-1-carboxamide is CCNC(=O)n1cc(CC)cn1.
What is the InChIKey of N,4-diethylpyrazole-1-carboxamide?
The InChIKey is OQVYYCPOUDYLAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-3-7-5-10-11(6-7)8(12)9-4-2/h5-6H,3-4H2,1-2H3,(H,9,12).
What are the key properties of N,4-diethylpyrazole-1-carboxamide?
N,4-diethylpyrazole-1-carboxamide has a molecular weight of 167.21 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diethylpyrazole-1-carboxamide is sourced from PubChem (CID 155403649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).