N-[1-(4-methylphenyl)propyl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide

C18H21N5O — CID 19264563

IUPACN-[1-(4-methylphenyl)propyl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide
SMILESCCC(NC(=O)c1ccn(Cn2cccn2)n1)c1ccc(C)cc1
InChIInChI=1S/C18H21N5O/c1-3-16(15-7-5-14(2)6-8-15)20-18(24)17-9-12-23(21-17)13-22-11-4-10-19-22/h4-12,16H,3,13H2,1-2H3,(H,20,24)
InChIKeySFSZOLXITFHTSW-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.77
Rot. Bonds6

About N-[1-(4-methylphenyl)propyl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide

N-[1-(4-methylphenyl)propyl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide (PubChem CID 19264563) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[1-(4-methylphenyl)propyl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methylphenyl)propyl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide
PubChem CID19264563
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC NameN-[1-(4-methylphenyl)propyl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide
SMILESCCC(NC(=O)c1ccn(Cn2cccn2)n1)c1ccc(C)cc1
InChIInChI=1S/C18H21N5O/c1-3-16(15-7-5-14(2)6-8-15)20-18(24)17-9-12-23(21-17)13-22-11-4-10-19-22/h4-12,16H,3,13H2,1-2H3,(H,20,24)
InChIKeySFSZOLXITFHTSW-UHFFFAOYSA-N
XLogP2.77
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-phenylpropyl)-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide
CID 19264560
N-methyl-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide
CID 19264731
1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(1-phenylpropyl)pyrazole-3-carboxamide
CID 19270512
1-[(2,5-dimethylphenoxy)methyl]-N-[1-(4-methylphenyl)propyl]pyrazole-3-carboxamide
CID 19272828
1-methyl-N-[1-(4-methylphenyl)propyl]-6-oxopyridazine-3-carboxamide
CID 78777843
2-[3-[1-(4-propan-2-ylphenyl)propylcarbamoyl]pyrazol-1-yl]acetic acid
CID 19500181
1-(phenoxymethyl)-N-(1-phenylpropyl)pyrazole-3-carboxamide
CID 19271107
1-[(3-chloro-4-fluorophenoxy)methyl]-N-[1-(4-methylphenyl)propyl]pyrazole-3-carboxamide
CID 19268710
1,5-dimethyl-N-[1-(4-methylphenyl)propyl]pyrazole-3-carboxamide
CID 19279641
N-hexyl-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide
CID 19264482
1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide
CID 102533990
N-[1-(4-methylphenyl)propyl]-2-(3-methylpyrazol-1-yl)acetamide
CID 19516870

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylphenyl)propyl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide?
The IUPAC name of N-[1-(4-methylphenyl)propyl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide (CID 19264563) is N-[1-(4-methylphenyl)propyl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-[1-(4-methylphenyl)propyl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide?
The canonical SMILES for N-[1-(4-methylphenyl)propyl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide is CCC(NC(=O)c1ccn(Cn2cccn2)n1)c1ccc(C)cc1.
What is the InChIKey of N-[1-(4-methylphenyl)propyl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide?
The InChIKey is SFSZOLXITFHTSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-3-16(15-7-5-14(2)6-8-15)20-18(24)17-9-12-23(21-17)13-22-11-4-10-19-22/h4-12,16H,3,13H2,1-2H3,(H,20,24).
What are the key properties of N-[1-(4-methylphenyl)propyl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide?
N-[1-(4-methylphenyl)propyl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenyl)propyl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19264563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).