N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-methylpropanamide

C16H19N3O — CID 134795811

IUPACN-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cc(C2CC2)nn1-c1ccccc1
InChIInChI=1S/C16H19N3O/c1-11(2)16(20)17-15-10-14(12-8-9-12)18-19(15)13-6-4-3-5-7-13/h3-7,10-12H,8-9H2,1-2H3,(H,17,20)
InChIKeyDPTNYTIKJZPUDW-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.34
Rot. Bonds4

About N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-methylpropanamide

N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-methylpropanamide (PubChem CID 134795811) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-methylpropanamide
PubChem CID134795811
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cc(C2CC2)nn1-c1ccccc1
InChIInChI=1S/C16H19N3O/c1-11(2)16(20)17-15-10-14(12-8-9-12)18-19(15)13-6-4-3-5-7-13/h3-7,10-12H,8-9H2,1-2H3,(H,17,20)
InChIKeyDPTNYTIKJZPUDW-UHFFFAOYSA-N
XLogP3.34
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-methylpropanamide?
The IUPAC name of N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-methylpropanamide (CID 134795811) is N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-methylpropanamide.
What is the SMILES notation for N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-methylpropanamide?
The canonical SMILES for N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-methylpropanamide is CC(C)C(=O)Nc1cc(C2CC2)nn1-c1ccccc1.
What is the InChIKey of N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-methylpropanamide?
The InChIKey is DPTNYTIKJZPUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-11(2)16(20)17-15-10-14(12-8-9-12)18-19(15)13-6-4-3-5-7-13/h3-7,10-12H,8-9H2,1-2H3,(H,17,20).
What are the key properties of N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-methylpropanamide?
N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-methylpropanamide has a molecular weight of 269.35 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-methylpropanamide is sourced from PubChem (CID 134795811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).