5-(2-methylpropyl)-N-(5-methyl-1H-pyrazol-3-yl)-1H-pyrazole-3-carboxamide

C12H17N5O — CID 71864994

IUPAC5-(2-methylpropyl)-N-(5-methyl-1H-pyrazol-3-yl)-1H-pyrazole-3-carboxamide
SMILESCc1cc(NC(=O)c2cc(CC(C)C)[nH]n2)n[nH]1
InChIInChI=1S/C12H17N5O/c1-7(2)4-9-6-10(16-15-9)12(18)13-11-5-8(3)14-17-11/h5-7H,4H2,1-3H3,(H,15,16)(H2,13,14,17,18)
InChIKeyKYAYTFMLMUTHGB-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.89
Rot. Bonds4

About 5-(2-methylpropyl)-N-(5-methyl-1H-pyrazol-3-yl)-1H-pyrazole-3-carboxamide

5-(2-methylpropyl)-N-(5-methyl-1H-pyrazol-3-yl)-1H-pyrazole-3-carboxamide (PubChem CID 71864994) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 5-(2-methylpropyl)-N-(5-methyl-1H-pyrazol-3-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(2-methylpropyl)-N-(5-methyl-1H-pyrazol-3-yl)-1H-pyrazole-3-carboxamide
PubChem CID71864994
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name5-(2-methylpropyl)-N-(5-methyl-1H-pyrazol-3-yl)-1H-pyrazole-3-carboxamide
SMILESCc1cc(NC(=O)c2cc(CC(C)C)[nH]n2)n[nH]1
InChIInChI=1S/C12H17N5O/c1-7(2)4-9-6-10(16-15-9)12(18)13-11-5-8(3)14-17-11/h5-7H,4H2,1-3H3,(H,15,16)(H2,13,14,17,18)
InChIKeyKYAYTFMLMUTHGB-UHFFFAOYSA-N
XLogP1.89
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-N-(5-methyl-1H-pyrazol-3-yl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-(2-methylpropyl)-N-(5-methyl-1H-pyrazol-3-yl)-1H-pyrazole-3-carboxamide (CID 71864994) is 5-(2-methylpropyl)-N-(5-methyl-1H-pyrazol-3-yl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-(2-methylpropyl)-N-(5-methyl-1H-pyrazol-3-yl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-(2-methylpropyl)-N-(5-methyl-1H-pyrazol-3-yl)-1H-pyrazole-3-carboxamide is Cc1cc(NC(=O)c2cc(CC(C)C)[nH]n2)n[nH]1.
What is the InChIKey of 5-(2-methylpropyl)-N-(5-methyl-1H-pyrazol-3-yl)-1H-pyrazole-3-carboxamide?
The InChIKey is KYAYTFMLMUTHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-7(2)4-9-6-10(16-15-9)12(18)13-11-5-8(3)14-17-11/h5-7H,4H2,1-3H3,(H,15,16)(H2,13,14,17,18).
What are the key properties of 5-(2-methylpropyl)-N-(5-methyl-1H-pyrazol-3-yl)-1H-pyrazole-3-carboxamide?
5-(2-methylpropyl)-N-(5-methyl-1H-pyrazol-3-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 247.30 g/mol, XLogP of 1.89, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-N-(5-methyl-1H-pyrazol-3-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 71864994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).