3-formamido-N-methyl-N-propan-2-ylpyrazole-1-carboxamide

C9H14N4O2 — CID 10330743

IUPAC3-formamido-N-methyl-N-propan-2-ylpyrazole-1-carboxamide
SMILESCC(C)N(C)C(=O)n1ccc(NC=O)n1
InChIInChI=1S/C9H14N4O2/c1-7(2)12(3)9(15)13-5-4-8(11-13)10-6-14/h4-7H,1-3H3,(H,10,11,14)
InChIKeyIKFBAHAQBOUIJZ-UHFFFAOYSA-N
MW210.24 g/mol
LogP0.76
Rot. Bonds3

About 3-formamido-N-methyl-N-propan-2-ylpyrazole-1-carboxamide

3-formamido-N-methyl-N-propan-2-ylpyrazole-1-carboxamide (PubChem CID 10330743) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 3-formamido-N-methyl-N-propan-2-ylpyrazole-1-carboxamide.

Molecular Properties

Compound Name3-formamido-N-methyl-N-propan-2-ylpyrazole-1-carboxamide
PubChem CID10330743
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name3-formamido-N-methyl-N-propan-2-ylpyrazole-1-carboxamide
SMILESCC(C)N(C)C(=O)n1ccc(NC=O)n1
InChIInChI=1S/C9H14N4O2/c1-7(2)12(3)9(15)13-5-4-8(11-13)10-6-14/h4-7H,1-3H3,(H,10,11,14)
InChIKeyIKFBAHAQBOUIJZ-UHFFFAOYSA-N
XLogP0.76
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-formamido-N-methyl-N-propan-2-ylpyrazole-1-carboxamide?
The IUPAC name of 3-formamido-N-methyl-N-propan-2-ylpyrazole-1-carboxamide (CID 10330743) is 3-formamido-N-methyl-N-propan-2-ylpyrazole-1-carboxamide.
What is the SMILES notation for 3-formamido-N-methyl-N-propan-2-ylpyrazole-1-carboxamide?
The canonical SMILES for 3-formamido-N-methyl-N-propan-2-ylpyrazole-1-carboxamide is CC(C)N(C)C(=O)n1ccc(NC=O)n1.
What is the InChIKey of 3-formamido-N-methyl-N-propan-2-ylpyrazole-1-carboxamide?
The InChIKey is IKFBAHAQBOUIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-7(2)12(3)9(15)13-5-4-8(11-13)10-6-14/h4-7H,1-3H3,(H,10,11,14).
What are the key properties of 3-formamido-N-methyl-N-propan-2-ylpyrazole-1-carboxamide?
3-formamido-N-methyl-N-propan-2-ylpyrazole-1-carboxamide has a molecular weight of 210.24 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-formamido-N-methyl-N-propan-2-ylpyrazole-1-carboxamide is sourced from PubChem (CID 10330743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).