3-(4-methylphenyl)-N-(3-pyrazol-1-ylpropyl)-1H-pyrazole-5-carboxamide

C17H19N5O — CID 19513164

IUPAC3-(4-methylphenyl)-N-(3-pyrazol-1-ylpropyl)-1H-pyrazole-5-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCCCn3cccn3)[nH]n2)cc1
InChIInChI=1S/C17H19N5O/c1-13-4-6-14(7-5-13)15-12-16(21-20-15)17(23)18-8-2-10-22-11-3-9-19-22/h3-7,9,11-12H,2,8,10H2,1H3,(H,18,23)(H,20,21)
InChIKeyWRZGANVHBVLONX-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.40
Rot. Bonds6

About 3-(4-methylphenyl)-N-(3-pyrazol-1-ylpropyl)-1H-pyrazole-5-carboxamide

3-(4-methylphenyl)-N-(3-pyrazol-1-ylpropyl)-1H-pyrazole-5-carboxamide (PubChem CID 19513164) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 3-(4-methylphenyl)-N-(3-pyrazol-1-ylpropyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-methylphenyl)-N-(3-pyrazol-1-ylpropyl)-1H-pyrazole-5-carboxamide
PubChem CID19513164
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name3-(4-methylphenyl)-N-(3-pyrazol-1-ylpropyl)-1H-pyrazole-5-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCCCn3cccn3)[nH]n2)cc1
InChIInChI=1S/C17H19N5O/c1-13-4-6-14(7-5-13)15-12-16(21-20-15)17(23)18-8-2-10-22-11-3-9-19-22/h3-7,9,11-12H,2,8,10H2,1H3,(H,18,23)(H,20,21)
InChIKeyWRZGANVHBVLONX-UHFFFAOYSA-N
XLogP2.40
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(4-methoxyphenyl)-N-(3-pyrazol-1-ylpropyl)-1H-pyrazole-5-carboxamide
CID 19508977
3-(4-methylphenyl)-N-[3-(2-oxo-1-pyridinyl)propyl]-1H-pyrazole-5-carboxamide
CID 119066173
3-(2,4-dichlorophenyl)-N-(3-pyrazol-1-ylpropyl)-1H-pyrazole-5-carboxamide
CID 19510199
N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 19513158
N-[2-(4-bromopyrazol-1-yl)ethyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 19282946
3-methyl-N-(3-pyrazol-1-ylpropyl)benzamide
CID 19332230
2-(4-methylphenoxy)-N-(3-pyrazol-1-ylpropyl)acetamide
CID 47025675
N-[(1-ethylpyrazol-3-yl)methyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 19513078
1-(4-methylphenyl)-N-(3-pyrazol-1-ylpropyl)triazole-4-carboxamide
CID 86985740
3-(4-chlorophenyl)-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-1H-pyrazole-5-carboxamide
CID 19509582
5-(4-fluorophenyl)-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide
CID 37393794
3-(4-chlorophenyl)-N-octadecyl-1H-pyrazole-5-carboxamide
CID 19509334

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-N-(3-pyrazol-1-ylpropyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(4-methylphenyl)-N-(3-pyrazol-1-ylpropyl)-1H-pyrazole-5-carboxamide (CID 19513164) is 3-(4-methylphenyl)-N-(3-pyrazol-1-ylpropyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-methylphenyl)-N-(3-pyrazol-1-ylpropyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-methylphenyl)-N-(3-pyrazol-1-ylpropyl)-1H-pyrazole-5-carboxamide is Cc1ccc(-c2cc(C(=O)NCCCn3cccn3)[nH]n2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-N-(3-pyrazol-1-ylpropyl)-1H-pyrazole-5-carboxamide?
The InChIKey is WRZGANVHBVLONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-13-4-6-14(7-5-13)15-12-16(21-20-15)17(23)18-8-2-10-22-11-3-9-19-22/h3-7,9,11-12H,2,8,10H2,1H3,(H,18,23)(H,20,21).
What are the key properties of 3-(4-methylphenyl)-N-(3-pyrazol-1-ylpropyl)-1H-pyrazole-5-carboxamide?
3-(4-methylphenyl)-N-(3-pyrazol-1-ylpropyl)-1H-pyrazole-5-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-N-(3-pyrazol-1-ylpropyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19513164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).