1-benzyl-N-ethyl-N-methylpyrazole-4-carboxamide

C14H17N3O — CID 86926836

IUPAC1-benzyl-N-ethyl-N-methylpyrazole-4-carboxamide
SMILESCCN(C)C(=O)c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C14H17N3O/c1-3-16(2)14(18)13-9-15-17(11-13)10-12-7-5-4-6-8-12/h4-9,11H,3,10H2,1-2H3
InChIKeyNTHUCZXSMBDJLV-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.02
Rot. Bonds4

About 1-benzyl-N-ethyl-N-methylpyrazole-4-carboxamide

1-benzyl-N-ethyl-N-methylpyrazole-4-carboxamide (PubChem CID 86926836) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-benzyl-N-ethyl-N-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-ethyl-N-methylpyrazole-4-carboxamide
PubChem CID86926836
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name1-benzyl-N-ethyl-N-methylpyrazole-4-carboxamide
SMILESCCN(C)C(=O)c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C14H17N3O/c1-3-16(2)14(18)13-9-15-17(11-13)10-12-7-5-4-6-8-12/h4-9,11H,3,10H2,1-2H3
InChIKeyNTHUCZXSMBDJLV-UHFFFAOYSA-N
XLogP2.02
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-N-methyl-N-(thiophen-3-ylmethyl)pyrazole-4-carboxamide
CID 18117356
1-benzyl-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-4-carboxamide
CID 29221167
1-benzyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyrazole-4-carboxamide
CID 75461031
1-benzyl-N-methyl-N-[(1R)-1-pyridin-4-ylpropyl]pyrazole-4-carboxamide
CID 95980990
1-benzylpyrazole-4-carbohydrazide
CID 83386286
1-benzyl-N-[2-(diethylamino)-2-phenylethyl]pyrazole-4-carboxamide
CID 18167165
1-benzyl-N-[[4-(diethylaminomethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 24504538
1-benzyl-N-[2-(dimethylamino)-2-phenylethyl]pyrazole-4-carboxamide
CID 42894629
1-benzyl-N-[(2R)-2-(dimethylamino)-2-phenylethyl]pyrazole-4-carboxamide
CID 27230847
N-ethyl-N,1-dimethylpyrazole-4-carboxamide;hydrochloride
CID 130678775
1-benzyl-N-[[3-(diethylaminomethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 155945718
N-[(1-benzylpyrazol-4-yl)methyl]-3,4-diethoxy-N-methylbenzamide
CID 31798331

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-ethyl-N-methylpyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-ethyl-N-methylpyrazole-4-carboxamide (CID 86926836) is 1-benzyl-N-ethyl-N-methylpyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-ethyl-N-methylpyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-ethyl-N-methylpyrazole-4-carboxamide is CCN(C)C(=O)c1cnn(Cc2ccccc2)c1.
What is the InChIKey of 1-benzyl-N-ethyl-N-methylpyrazole-4-carboxamide?
The InChIKey is NTHUCZXSMBDJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-3-16(2)14(18)13-9-15-17(11-13)10-12-7-5-4-6-8-12/h4-9,11H,3,10H2,1-2H3.
What are the key properties of 1-benzyl-N-ethyl-N-methylpyrazole-4-carboxamide?
1-benzyl-N-ethyl-N-methylpyrazole-4-carboxamide has a molecular weight of 243.31 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-ethyl-N-methylpyrazole-4-carboxamide is sourced from PubChem (CID 86926836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).