1,3-dimethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazole-4-carboxamide

C17H19N5O — CID 5074181

IUPAC1,3-dimethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazole-4-carboxamide
SMILESCc1ccccc1Cn1cc(NC(=O)c2cn(C)nc2C)cn1
InChIInChI=1S/C17H19N5O/c1-12-6-4-5-7-14(12)9-22-10-15(8-18-22)19-17(23)16-11-21(3)20-13(16)2/h4-8,10-11H,9H2,1-3H3,(H,19,23)
InChIKeyVOGCXHBLNWLEGA-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.53
Rot. Bonds4

About 1,3-dimethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazole-4-carboxamide

1,3-dimethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazole-4-carboxamide (PubChem CID 5074181) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 1,3-dimethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazole-4-carboxamide
PubChem CID5074181
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name1,3-dimethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazole-4-carboxamide
SMILESCc1ccccc1Cn1cc(NC(=O)c2cn(C)nc2C)cn1
InChIInChI=1S/C17H19N5O/c1-12-6-4-5-7-14(12)9-22-10-15(8-18-22)19-17(23)16-11-21(3)20-13(16)2/h4-8,10-11H,9H2,1-3H3,(H,19,23)
InChIKeyVOGCXHBLNWLEGA-UHFFFAOYSA-N
XLogP2.53
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-1,3-dimethylpyrazole-4-carboxamide
CID 19474860
N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]-1,3-dimethylpyrazole-4-carboxamide
CID 19395492
N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19346357
1-ethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazole-4-carboxamide
CID 19280974
N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-methylbenzamide
CID 19397814
N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2-phenylacetamide
CID 19346309
2-ethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19475276
N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 22427565
N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19416861
1-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-3-(1-methylpyrazol-3-yl)thiourea
CID 19401618
2-methyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 19401906
N-(1-ethylpyrazol-4-yl)-2-methylbenzamide
CID 51078638

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazole-4-carboxamide?
The IUPAC name of 1,3-dimethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazole-4-carboxamide (CID 5074181) is 1,3-dimethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1,3-dimethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1,3-dimethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazole-4-carboxamide is Cc1ccccc1Cn1cc(NC(=O)c2cn(C)nc2C)cn1.
What is the InChIKey of 1,3-dimethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazole-4-carboxamide?
The InChIKey is VOGCXHBLNWLEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-12-6-4-5-7-14(12)9-22-10-15(8-18-22)19-17(23)16-11-21(3)20-13(16)2/h4-8,10-11H,9H2,1-3H3,(H,19,23).
What are the key properties of 1,3-dimethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazole-4-carboxamide?
1,3-dimethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazole-4-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 5074181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).