3-methyl-N-propan-2-yl-3,4-dihydropyrazole-2-carboxamide

C8H15N3O — CID 86124292

IUPAC3-methyl-N-propan-2-yl-3,4-dihydropyrazole-2-carboxamide
SMILESCC(C)NC(=O)N1N=CCC1C
InChIInChI=1S/C8H15N3O/c1-6(2)10-8(12)11-7(3)4-5-9-11/h5-7H,4H2,1-3H3,(H,10,12)
InChIKeyJBWZBMOOYGRZIW-UHFFFAOYSA-N
MW169.23 g/mol
LogP1.18
Rot. Bonds1

About 3-methyl-N-propan-2-yl-3,4-dihydropyrazole-2-carboxamide

3-methyl-N-propan-2-yl-3,4-dihydropyrazole-2-carboxamide (PubChem CID 86124292) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 3-methyl-N-propan-2-yl-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-propan-2-yl-3,4-dihydropyrazole-2-carboxamide
PubChem CID86124292
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name3-methyl-N-propan-2-yl-3,4-dihydropyrazole-2-carboxamide
SMILESCC(C)NC(=O)N1N=CCC1C
InChIInChI=1S/C8H15N3O/c1-6(2)10-8(12)11-7(3)4-5-9-11/h5-7H,4H2,1-3H3,(H,10,12)
InChIKeyJBWZBMOOYGRZIW-UHFFFAOYSA-N
XLogP1.18
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-propan-2-yl-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of 3-methyl-N-propan-2-yl-3,4-dihydropyrazole-2-carboxamide (CID 86124292) is 3-methyl-N-propan-2-yl-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for 3-methyl-N-propan-2-yl-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for 3-methyl-N-propan-2-yl-3,4-dihydropyrazole-2-carboxamide is CC(C)NC(=O)N1N=CCC1C.
What is the InChIKey of 3-methyl-N-propan-2-yl-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is JBWZBMOOYGRZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-6(2)10-8(12)11-7(3)4-5-9-11/h5-7H,4H2,1-3H3,(H,10,12).
What are the key properties of 3-methyl-N-propan-2-yl-3,4-dihydropyrazole-2-carboxamide?
3-methyl-N-propan-2-yl-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 169.23 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-propan-2-yl-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 86124292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).