N-ethyl-N-[(2-methylphenyl)methyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide

C18H25N3O — CID 78879649

IUPACN-ethyl-N-[(2-methylphenyl)methyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
SMILESCCN(Cc1ccccc1C)C(=O)c1cc(CC(C)C)[nH]n1
InChIInChI=1S/C18H25N3O/c1-5-21(12-15-9-7-6-8-14(15)4)18(22)17-11-16(19-20-17)10-13(2)3/h6-9,11,13H,5,10,12H2,1-4H3,(H,19,20)
InChIKeyHOGRTTZLBZOGSN-UHFFFAOYSA-N
MW299.42 g/mol
LogP3.58
Rot. Bonds6

About N-ethyl-N-[(2-methylphenyl)methyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide

N-ethyl-N-[(2-methylphenyl)methyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide (PubChem CID 78879649) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is N-ethyl-N-[(2-methylphenyl)methyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[(2-methylphenyl)methyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
PubChem CID78879649
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC NameN-ethyl-N-[(2-methylphenyl)methyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
SMILESCCN(Cc1ccccc1C)C(=O)c1cc(CC(C)C)[nH]n1
InChIInChI=1S/C18H25N3O/c1-5-21(12-15-9-7-6-8-14(15)4)18(22)17-11-16(19-20-17)10-13(2)3/h6-9,11,13H,5,10,12H2,1-4H3,(H,19,20)
InChIKeyHOGRTTZLBZOGSN-UHFFFAOYSA-N
XLogP3.58
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(diethylamino)ethyl]-5-methyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-3-carboxamide
CID 123757607
4-amino-N,5-diethyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-3-carboxamide
CID 62082868
N-[(2-methylphenyl)methyl]-5-(phenoxymethyl)-N-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56755639
N-ethyl-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 63049222
N-(2-aminoethyl)-N-[(2-methylphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 144610886
N-[(3-fluorophenyl)methyl]-N-methyl-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 78880562
N'-(2-methylpropanoyl)-5-(2-methylpropyl)-1H-pyrazole-3-carbohydrazide
CID 78879143
4,5-dibromo-N-ethyl-N-[(2-methylphenyl)methyl]thiophene-2-carboxamide
CID 112725701
N-ethyl-2-hydroxy-4-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 112817397
N-ethyl-N-(2-hydroxy-2-methylpropyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 111596679
N-[(5-chlorothiophen-2-yl)methyl]-5-(2-methylpropyl)-N-prop-2-enyl-1H-pyrazole-3-carboxamide
CID 55738084
N-ethyl-4-hydroxy-N-[(2-methylphenyl)methyl]pentanamide
CID 79204952

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(2-methylphenyl)methyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-ethyl-N-[(2-methylphenyl)methyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide (CID 78879649) is N-ethyl-N-[(2-methylphenyl)methyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-ethyl-N-[(2-methylphenyl)methyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-ethyl-N-[(2-methylphenyl)methyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide is CCN(Cc1ccccc1C)C(=O)c1cc(CC(C)C)[nH]n1.
What is the InChIKey of N-ethyl-N-[(2-methylphenyl)methyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide?
The InChIKey is HOGRTTZLBZOGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-5-21(12-15-9-7-6-8-14(15)4)18(22)17-11-16(19-20-17)10-13(2)3/h6-9,11,13H,5,10,12H2,1-4H3,(H,19,20).
What are the key properties of N-ethyl-N-[(2-methylphenyl)methyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide?
N-ethyl-N-[(2-methylphenyl)methyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide has a molecular weight of 299.42 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(2-methylphenyl)methyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 78879649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).