N-benzyl-N,2,5-trimethylpyrazole-3-carboxamide

C14H17N3O — CID 112513798

IUPACN-benzyl-N,2,5-trimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)Cc2ccccc2)n(C)n1
InChIInChI=1S/C14H17N3O/c1-11-9-13(17(3)15-11)14(18)16(2)10-12-7-5-4-6-8-12/h4-9H,10H2,1-3H3
InChIKeyFREIKPWQZVZFBD-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.00
Rot. Bonds3

About N-benzyl-N,2,5-trimethylpyrazole-3-carboxamide

N-benzyl-N,2,5-trimethylpyrazole-3-carboxamide (PubChem CID 112513798) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is N-benzyl-N,2,5-trimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N,2,5-trimethylpyrazole-3-carboxamide
PubChem CID112513798
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN-benzyl-N,2,5-trimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)Cc2ccccc2)n(C)n1
InChIInChI=1S/C14H17N3O/c1-11-9-13(17(3)15-11)14(18)16(2)10-12-7-5-4-6-8-12/h4-9H,10H2,1-3H3
InChIKeyFREIKPWQZVZFBD-UHFFFAOYSA-N
XLogP2.00
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-bromophenyl)methyl]-N,2,5-trimethylpyrazole-3-carboxamide
CID 61057739
N-[[2-(aminomethyl)phenyl]methyl]-N,2,5-trimethylpyrazole-3-carboxamide
CID 66126875
N-benzyl-2,5-dimethyl-N-pyridin-4-ylpyrazole-3-carboxamide
CID 75449858
N-benzyl-3-(furan-2-yl)-N,1-dimethylpyrazole-5-carboxamide
CID 42879277
N-benzyl-N,3-dimethylimidazole-4-carboxamide
CID 110851099
N-benzyl-4-(3,5-dimethylpyrazol-1-yl)-N-methylbenzamide
CID 26912749
N-benzyl-N,1-dimethylindazole-3-carboxamide
CID 110851100
N-[[3-(aminomethyl)phenyl]methyl]-2-ethyl-N,5-dimethylpyrazole-3-carboxamide
CID 66128449
N-benzyl-N,1,2,5-tetramethylpyrrole-3-carboxamide
CID 110691243
N-[(3-aminocyclobutyl)methyl]-N,2,5-trimethylpyrazole-3-carboxamide
CID 66126091
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2,5-dimethylpyrazole-3-carboxamide
CID 55883038
N-[(3-aminophenyl)methyl]-N-cyclopropyl-2,5-dimethylpyrazole-3-carboxamide
CID 66129017

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N,2,5-trimethylpyrazole-3-carboxamide?
The IUPAC name of N-benzyl-N,2,5-trimethylpyrazole-3-carboxamide (CID 112513798) is N-benzyl-N,2,5-trimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-benzyl-N,2,5-trimethylpyrazole-3-carboxamide?
The canonical SMILES for N-benzyl-N,2,5-trimethylpyrazole-3-carboxamide is Cc1cc(C(=O)N(C)Cc2ccccc2)n(C)n1.
What is the InChIKey of N-benzyl-N,2,5-trimethylpyrazole-3-carboxamide?
The InChIKey is FREIKPWQZVZFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-11-9-13(17(3)15-11)14(18)16(2)10-12-7-5-4-6-8-12/h4-9H,10H2,1-3H3.
What are the key properties of N-benzyl-N,2,5-trimethylpyrazole-3-carboxamide?
N-benzyl-N,2,5-trimethylpyrazole-3-carboxamide has a molecular weight of 243.31 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N,2,5-trimethylpyrazole-3-carboxamide is sourced from PubChem (CID 112513798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).