N-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide

C8H13N3O — CID 745362

IUPACN-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
SMILESCCC(=O)Nc1c(C)n[nH]c1C
InChIInChI=1S/C8H13N3O/c1-4-7(12)9-8-5(2)10-11-6(8)3/h4H2,1-3H3,(H,9,12)(H,10,11)
InChIKeyXBPWFLWPZXEJBW-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.38
Rot. Bonds2

About N-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide

N-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide (PubChem CID 745362) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is N-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
PubChem CID745362
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC NameN-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
SMILESCCC(=O)Nc1c(C)n[nH]c1C
InChIInChI=1S/C8H13N3O/c1-4-7(12)9-8-5(2)10-11-6(8)3/h4H2,1-3H3,(H,9,12)(H,10,11)
InChIKeyXBPWFLWPZXEJBW-UHFFFAOYSA-N
XLogP1.38
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide?
The IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide (CID 745362) is N-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide.
What is the SMILES notation for N-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide?
The canonical SMILES for N-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide is CCC(=O)Nc1c(C)n[nH]c1C.
What is the InChIKey of N-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide?
The InChIKey is XBPWFLWPZXEJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-4-7(12)9-8-5(2)10-11-6(8)3/h4H2,1-3H3,(H,9,12)(H,10,11).
What are the key properties of N-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide?
N-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide has a molecular weight of 167.21 g/mol, XLogP of 1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide is sourced from PubChem (CID 745362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).