N-(2-methylbutyl)-1H-pyrazole-5-carboxamide

C9H15N3O — CID 90810587

IUPACN-(2-methylbutyl)-1H-pyrazole-5-carboxamide
SMILESCCC(C)CNC(=O)c1ccn[nH]1
InChIInChI=1S/C9H15N3O/c1-3-7(2)6-10-9(13)8-4-5-11-12-8/h4-5,7H,3,6H2,1-2H3,(H,10,13)(H,11,12)
InChIKeyXNLYNJDRDCWPLO-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.19
Rot. Bonds4

About N-(2-methylbutyl)-1H-pyrazole-5-carboxamide

N-(2-methylbutyl)-1H-pyrazole-5-carboxamide (PubChem CID 90810587) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is N-(2-methylbutyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-methylbutyl)-1H-pyrazole-5-carboxamide
PubChem CID90810587
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC NameN-(2-methylbutyl)-1H-pyrazole-5-carboxamide
SMILESCCC(C)CNC(=O)c1ccn[nH]1
InChIInChI=1S/C9H15N3O/c1-3-7(2)6-10-9(13)8-4-5-11-12-8/h4-5,7H,3,6H2,1-2H3,(H,10,13)(H,11,12)
InChIKeyXNLYNJDRDCWPLO-UHFFFAOYSA-N
XLogP1.19
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(2-methylbutyl)-1H-pyrazole-5-carboxamide (CID 90810587) is N-(2-methylbutyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(2-methylbutyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(2-methylbutyl)-1H-pyrazole-5-carboxamide is CCC(C)CNC(=O)c1ccn[nH]1.
What is the InChIKey of N-(2-methylbutyl)-1H-pyrazole-5-carboxamide?
The InChIKey is XNLYNJDRDCWPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-3-7(2)6-10-9(13)8-4-5-11-12-8/h4-5,7H,3,6H2,1-2H3,(H,10,13)(H,11,12).
What are the key properties of N-(2-methylbutyl)-1H-pyrazole-5-carboxamide?
N-(2-methylbutyl)-1H-pyrazole-5-carboxamide has a molecular weight of 181.24 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 90810587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).