N-cyclohexyl-3-(3,4-dimethylphenyl)-N-methyl-1H-pyrazole-5-carboxamide

C19H25N3O — CID 20918349

IUPACN-cyclohexyl-3-(3,4-dimethylphenyl)-N-methyl-1H-pyrazole-5-carboxamide
SMILESCc1ccc(-c2cc(C(=O)N(C)C3CCCCC3)[nH]n2)cc1C
InChIInChI=1S/C19H25N3O/c1-13-9-10-15(11-14(13)2)17-12-18(21-20-17)19(23)22(3)16-7-5-4-6-8-16/h9-12,16H,4-8H2,1-3H3,(H,20,21)
InChIKeyLTHKPYDDWFYVNX-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.10
Rot. Bonds3

About N-cyclohexyl-3-(3,4-dimethylphenyl)-N-methyl-1H-pyrazole-5-carboxamide

N-cyclohexyl-3-(3,4-dimethylphenyl)-N-methyl-1H-pyrazole-5-carboxamide (PubChem CID 20918349) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is N-cyclohexyl-3-(3,4-dimethylphenyl)-N-methyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-3-(3,4-dimethylphenyl)-N-methyl-1H-pyrazole-5-carboxamide
PubChem CID20918349
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC NameN-cyclohexyl-3-(3,4-dimethylphenyl)-N-methyl-1H-pyrazole-5-carboxamide
SMILESCc1ccc(-c2cc(C(=O)N(C)C3CCCCC3)[nH]n2)cc1C
InChIInChI=1S/C19H25N3O/c1-13-9-10-15(11-14(13)2)17-12-18(21-20-17)19(23)22(3)16-7-5-4-6-8-16/h9-12,16H,4-8H2,1-3H3,(H,20,21)
InChIKeyLTHKPYDDWFYVNX-UHFFFAOYSA-N
XLogP4.10
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-(3,4-dimethylphenyl)-N-methyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-cyclohexyl-3-(3,4-dimethylphenyl)-N-methyl-1H-pyrazole-5-carboxamide (CID 20918349) is N-cyclohexyl-3-(3,4-dimethylphenyl)-N-methyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-3-(3,4-dimethylphenyl)-N-methyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-cyclohexyl-3-(3,4-dimethylphenyl)-N-methyl-1H-pyrazole-5-carboxamide is Cc1ccc(-c2cc(C(=O)N(C)C3CCCCC3)[nH]n2)cc1C.
What is the InChIKey of N-cyclohexyl-3-(3,4-dimethylphenyl)-N-methyl-1H-pyrazole-5-carboxamide?
The InChIKey is LTHKPYDDWFYVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-13-9-10-15(11-14(13)2)17-12-18(21-20-17)19(23)22(3)16-7-5-4-6-8-16/h9-12,16H,4-8H2,1-3H3,(H,20,21).
What are the key properties of N-cyclohexyl-3-(3,4-dimethylphenyl)-N-methyl-1H-pyrazole-5-carboxamide?
N-cyclohexyl-3-(3,4-dimethylphenyl)-N-methyl-1H-pyrazole-5-carboxamide has a molecular weight of 311.43 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-(3,4-dimethylphenyl)-N-methyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 20918349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).