N-methyl-N-propan-2-yl-1H-pyrazole-4-carboxamide

C8H13N3O — CID 43582583

IUPACN-methyl-N-propan-2-yl-1H-pyrazole-4-carboxamide
SMILESCC(C)N(C)C(=O)c1cn[nH]c1
InChIInChI=1S/C8H13N3O/c1-6(2)11(3)8(12)7-4-9-10-5-7/h4-6H,1-3H3,(H,9,10)
InChIKeyVCWYBWNHYRDXGM-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.89
Rot. Bonds2

About N-methyl-N-propan-2-yl-1H-pyrazole-4-carboxamide

N-methyl-N-propan-2-yl-1H-pyrazole-4-carboxamide (PubChem CID 43582583) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is N-methyl-N-propan-2-yl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-propan-2-yl-1H-pyrazole-4-carboxamide
PubChem CID43582583
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC NameN-methyl-N-propan-2-yl-1H-pyrazole-4-carboxamide
SMILESCC(C)N(C)C(=O)c1cn[nH]c1
InChIInChI=1S/C8H13N3O/c1-6(2)11(3)8(12)7-4-9-10-5-7/h4-6H,1-3H3,(H,9,10)
InChIKeyVCWYBWNHYRDXGM-UHFFFAOYSA-N
XLogP0.89
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-propan-2-yl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-methyl-N-propan-2-yl-1H-pyrazole-4-carboxamide (CID 43582583) is N-methyl-N-propan-2-yl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-methyl-N-propan-2-yl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-methyl-N-propan-2-yl-1H-pyrazole-4-carboxamide is CC(C)N(C)C(=O)c1cn[nH]c1.
What is the InChIKey of N-methyl-N-propan-2-yl-1H-pyrazole-4-carboxamide?
The InChIKey is VCWYBWNHYRDXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-6(2)11(3)8(12)7-4-9-10-5-7/h4-6H,1-3H3,(H,9,10).
What are the key properties of N-methyl-N-propan-2-yl-1H-pyrazole-4-carboxamide?
N-methyl-N-propan-2-yl-1H-pyrazole-4-carboxamide has a molecular weight of 167.21 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-propan-2-yl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 43582583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).