4-amino-N-benzyl-1-ethylpyrazole-3-carboxamide

C13H16N4O — CID 19620451

IUPAC4-amino-N-benzyl-1-ethylpyrazole-3-carboxamide
SMILESCCn1cc(N)c(C(=O)NCc2ccccc2)n1
InChIInChI=1S/C13H16N4O/c1-2-17-9-11(14)12(16-17)13(18)15-8-10-6-4-3-5-7-10/h3-7,9H,2,8,14H2,1H3,(H,15,18)
InChIKeyCDDOKWFJINJMKY-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.42
Rot. Bonds4

About 4-amino-N-benzyl-1-ethylpyrazole-3-carboxamide

4-amino-N-benzyl-1-ethylpyrazole-3-carboxamide (PubChem CID 19620451) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 4-amino-N-benzyl-1-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-benzyl-1-ethylpyrazole-3-carboxamide
PubChem CID19620451
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name4-amino-N-benzyl-1-ethylpyrazole-3-carboxamide
SMILESCCn1cc(N)c(C(=O)NCc2ccccc2)n1
InChIInChI=1S/C13H16N4O/c1-2-17-9-11(14)12(16-17)13(18)15-8-10-6-4-3-5-7-10/h3-7,9H,2,8,14H2,1H3,(H,15,18)
InChIKeyCDDOKWFJINJMKY-UHFFFAOYSA-N
XLogP1.42
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-1-ethyl-N-[(4-ethylphenyl)methyl]pyrazole-3-carboxamide
CID 106899160
4-amino-1-ethyl-N-[[4-(hydroxymethyl)phenyl]methyl]pyrazole-3-carboxamide
CID 107229536
4-amino-1-ethyl-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]pyrazole-3-carboxamide
CID 107860614
4-amino-1-ethyl-N-(2-hydroxyethyl)pyrazole-3-carboxamide
CID 65359089
4-amino-1-ethyl-N-naphthalen-1-ylpyrazole-3-carboxamide
CID 65358599
4-amino-1-ethyl-N-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 65358840
4-amino-1-ethyl-N-(2-methylprop-2-enyl)pyrazole-3-carboxamide
CID 114615025
4-amino-1-ethyl-N-(2-hydroxy-2-methylpropyl)pyrazole-3-carboxamide
CID 65363321
4-amino-1-ethyl-N-[(1-methylimidazol-2-yl)methyl]pyrazole-3-carboxamide
CID 65362915
4-amino-N-(2,3-dihydro-1H-inden-2-yl)-1-ethylpyrazole-3-carboxamide
CID 107843308
4-amino-N-[2-(diethylamino)ethyl]-1-ethylpyrazole-3-carboxamide
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4-amino-N-(2,6-dichlorophenyl)-1-ethylpyrazole-3-carboxamide
CID 65469816

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-benzyl-1-ethylpyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-benzyl-1-ethylpyrazole-3-carboxamide (CID 19620451) is 4-amino-N-benzyl-1-ethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-benzyl-1-ethylpyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-benzyl-1-ethylpyrazole-3-carboxamide is CCn1cc(N)c(C(=O)NCc2ccccc2)n1.
What is the InChIKey of 4-amino-N-benzyl-1-ethylpyrazole-3-carboxamide?
The InChIKey is CDDOKWFJINJMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-2-17-9-11(14)12(16-17)13(18)15-8-10-6-4-3-5-7-10/h3-7,9H,2,8,14H2,1H3,(H,15,18).
What are the key properties of 4-amino-N-benzyl-1-ethylpyrazole-3-carboxamide?
4-amino-N-benzyl-1-ethylpyrazole-3-carboxamide has a molecular weight of 244.30 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-benzyl-1-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 19620451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).