4,5-dimethyl-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide

C14H17N3O — CID 110852276

IUPAC4,5-dimethyl-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)NCCc2ccccc2)c1C
InChIInChI=1S/C14H17N3O/c1-10-11(2)16-17-13(10)14(18)15-9-8-12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyWRCHQSKNOFEJRJ-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.00
Rot. Bonds4

About 4,5-dimethyl-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide

4,5-dimethyl-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide (PubChem CID 110852276) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 4,5-dimethyl-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4,5-dimethyl-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide
PubChem CID110852276
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name4,5-dimethyl-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)NCCc2ccccc2)c1C
InChIInChI=1S/C14H17N3O/c1-10-11(2)16-17-13(10)14(18)15-9-8-12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyWRCHQSKNOFEJRJ-UHFFFAOYSA-N
XLogP2.00
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methoxyethyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide
CID 110849199
4-chloro-5-methyl-N-(2-pyridin-4-ylethyl)-1H-pyrazole-3-carboxamide
CID 121499652
N-ethyl-4,5-dimethyl-1H-pyrazole-3-carboxamide
CID 126996863
2,3,4-trimethyl-N-(2-phenylethyl)benzamide
CID 84533517
N-[2-[4-(dimethylamino)phenyl]ethyl]-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide
CID 72906428
1-N,4-N-bis(2-phenylethyl)benzene-1,4-dicarboxamide
CID 984633
2,3-dimethyl-N-(2-phenylethyl)benzamide
CID 7732731
3-amino-N-(2-phenylethyl)-1H-1,2,4-triazole-5-carboxamide
CID 62807337
5-methyl-N-(2-phenylethyl)-4,5-dihydro-1H-imidazole-2-carboxamide
CID 91902231
3-(2-phenylethylcarbamoyl)pyrazine-2-carboxylic acid
CID 1207738
4,5-dimethyl-N-prop-2-ynyl-1H-pyrazole-3-carboxamide
CID 130686848
molecular hydrogen;2-phenylethylcarbamic acid
CID 145072858

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 4,5-dimethyl-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide (CID 110852276) is 4,5-dimethyl-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4,5-dimethyl-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4,5-dimethyl-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide is Cc1[nH]nc(C(=O)NCCc2ccccc2)c1C.
What is the InChIKey of 4,5-dimethyl-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is WRCHQSKNOFEJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10-11(2)16-17-13(10)14(18)15-9-8-12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of 4,5-dimethyl-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide?
4,5-dimethyl-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 243.31 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 110852276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).