1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(1-phenylpropyl)pyrazole-3-carboxamide

C19H23N5O — CID 19270512

IUPAC1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(1-phenylpropyl)pyrazole-3-carboxamide
SMILESCCC(NC(=O)c1ccn(Cn2nc(C)cc2C)n1)c1ccccc1
InChIInChI=1S/C19H23N5O/c1-4-17(16-8-6-5-7-9-16)20-19(25)18-10-11-23(22-18)13-24-15(3)12-14(2)21-24/h5-12,17H,4,13H2,1-3H3,(H,20,25)
InChIKeyVMIKRBGYOFSFJR-UHFFFAOYSA-N
MW337.43 g/mol
LogP3.08
Rot. Bonds6

About 1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(1-phenylpropyl)pyrazole-3-carboxamide

1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(1-phenylpropyl)pyrazole-3-carboxamide (PubChem CID 19270512) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(1-phenylpropyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(1-phenylpropyl)pyrazole-3-carboxamide
PubChem CID19270512
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(1-phenylpropyl)pyrazole-3-carboxamide
SMILESCCC(NC(=O)c1ccn(Cn2nc(C)cc2C)n1)c1ccccc1
InChIInChI=1S/C19H23N5O/c1-4-17(16-8-6-5-7-9-16)20-19(25)18-10-11-23(22-18)13-24-15(3)12-14(2)21-24/h5-12,17H,4,13H2,1-3H3,(H,20,25)
InChIKeyVMIKRBGYOFSFJR-UHFFFAOYSA-N
XLogP3.08
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 53.08
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
1-(phenoxymethyl)-N-(1-phenylpropyl)pyrazole-3-carboxamide
CID 19271107
1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(dipentylamino)propan-2-yl]pyrazole-3-carboxamide
CID 19270531
1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2-sulfanylethyl)pyrazole-3-carboxamide
CID 19270518
N-[1-(4-methylphenyl)propyl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide
CID 19264563
1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide
CID 19270593
methyl 1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazole-3-carboxylate
CID 102533991
4-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-1-ethyl-N-phenylpyrazole-3-carboxamide
CID 19270655
methyl 2-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]acetate
CID 19270589
2-[3-(1-phenylpropylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19504138
2-[3-[1-(4-propan-2-ylphenyl)propylcarbamoyl]pyrazol-1-yl]acetic acid
CID 19500181
N-(2,5-dimethylphenyl)-1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazole-3-carboxamide
CID 19270525

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(1-phenylpropyl)pyrazole-3-carboxamide?
The IUPAC name of 1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(1-phenylpropyl)pyrazole-3-carboxamide (CID 19270512) is 1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(1-phenylpropyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(1-phenylpropyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(1-phenylpropyl)pyrazole-3-carboxamide is CCC(NC(=O)c1ccn(Cn2nc(C)cc2C)n1)c1ccccc1.
What is the InChIKey of 1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(1-phenylpropyl)pyrazole-3-carboxamide?
The InChIKey is VMIKRBGYOFSFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-4-17(16-8-6-5-7-9-16)20-19(25)18-10-11-23(22-18)13-24-15(3)12-14(2)21-24/h5-12,17H,4,13H2,1-3H3,(H,20,25).
What are the key properties of 1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(1-phenylpropyl)pyrazole-3-carboxamide?
1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(1-phenylpropyl)pyrazole-3-carboxamide has a molecular weight of 337.43 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(1-phenylpropyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19270512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).