N-butan-2-yl-1-methyl-N-(1H-1,2,4-triazol-5-yl)pyrazole-3-carboxamide

C11H16N6O — CID 129204803

IUPACN-butan-2-yl-1-methyl-N-(1H-1,2,4-triazol-5-yl)pyrazole-3-carboxamide
SMILESCCC(C)N(C(=O)c1ccn(C)n1)c1ncn[nH]1
InChIInChI=1S/C11H16N6O/c1-4-8(2)17(11-12-7-13-14-11)10(18)9-5-6-16(3)15-9/h5-8H,4H2,1-3H3,(H,12,13,14)
InChIKeyRHOMPIGPRHAOCA-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.98
Rot. Bonds4

About N-butan-2-yl-1-methyl-N-(1H-1,2,4-triazol-5-yl)pyrazole-3-carboxamide

N-butan-2-yl-1-methyl-N-(1H-1,2,4-triazol-5-yl)pyrazole-3-carboxamide (PubChem CID 129204803) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is N-butan-2-yl-1-methyl-N-(1H-1,2,4-triazol-5-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-1-methyl-N-(1H-1,2,4-triazol-5-yl)pyrazole-3-carboxamide
PubChem CID129204803
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC NameN-butan-2-yl-1-methyl-N-(1H-1,2,4-triazol-5-yl)pyrazole-3-carboxamide
SMILESCCC(C)N(C(=O)c1ccn(C)n1)c1ncn[nH]1
InChIInChI=1S/C11H16N6O/c1-4-8(2)17(11-12-7-13-14-11)10(18)9-5-6-16(3)15-9/h5-8H,4H2,1-3H3,(H,12,13,14)
InChIKeyRHOMPIGPRHAOCA-UHFFFAOYSA-N
XLogP0.98
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-1-methyl-N-(1H-1,2,4-triazol-5-yl)pyrazole-3-carboxamide?
The IUPAC name of N-butan-2-yl-1-methyl-N-(1H-1,2,4-triazol-5-yl)pyrazole-3-carboxamide (CID 129204803) is N-butan-2-yl-1-methyl-N-(1H-1,2,4-triazol-5-yl)pyrazole-3-carboxamide.
What is the SMILES notation for N-butan-2-yl-1-methyl-N-(1H-1,2,4-triazol-5-yl)pyrazole-3-carboxamide?
The canonical SMILES for N-butan-2-yl-1-methyl-N-(1H-1,2,4-triazol-5-yl)pyrazole-3-carboxamide is CCC(C)N(C(=O)c1ccn(C)n1)c1ncn[nH]1.
What is the InChIKey of N-butan-2-yl-1-methyl-N-(1H-1,2,4-triazol-5-yl)pyrazole-3-carboxamide?
The InChIKey is RHOMPIGPRHAOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O/c1-4-8(2)17(11-12-7-13-14-11)10(18)9-5-6-16(3)15-9/h5-8H,4H2,1-3H3,(H,12,13,14).
What are the key properties of N-butan-2-yl-1-methyl-N-(1H-1,2,4-triazol-5-yl)pyrazole-3-carboxamide?
N-butan-2-yl-1-methyl-N-(1H-1,2,4-triazol-5-yl)pyrazole-3-carboxamide has a molecular weight of 248.29 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-1-methyl-N-(1H-1,2,4-triazol-5-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 129204803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).