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

C11H15N5O — CID 43546402

IUPACN-(3,5-dimethyl-1H-pyrazol-4-yl)-3-pyrazol-1-ylpropanamide
SMILESCc1n[nH]c(C)c1NC(=O)CCn1cccn1
InChIInChI=1S/C11H15N5O/c1-8-11(9(2)15-14-8)13-10(17)4-7-16-6-3-5-12-16/h3,5-6H,4,7H2,1-2H3,(H,13,17)(H,14,15)
InChIKeyVKGRMTYPMOHELW-UHFFFAOYSA-N
MW233.28 g/mol
LogP1.25
Rot. Bonds4

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

N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-pyrazol-1-ylpropanamide (PubChem CID 43546402) has the molecular formula C11H15N5O and a molecular weight of 233.28 g/mol. Its IUPAC name is N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-3-pyrazol-1-ylpropanamide
PubChem CID43546402
Molecular FormulaC11H15N5O
Molecular Weight233.28 g/mol
Exact Mass233.13
IUPAC NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-3-pyrazol-1-ylpropanamide
SMILESCc1n[nH]c(C)c1NC(=O)CCn1cccn1
InChIInChI=1S/C11H15N5O/c1-8-11(9(2)15-14-8)13-10(17)4-7-16-6-3-5-12-16/h3,5-6H,4,7H2,1-2H3,(H,13,17)(H,14,15)
InChIKeyVKGRMTYPMOHELW-UHFFFAOYSA-N
XLogP1.25
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-pyrazol-1-ylpropanamide
CID 112689328
4-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-4-oxobutanoic acid
CID 16645428
N-(1,3-dimethylpyrazol-4-yl)-3-pyrazol-1-ylpropanamide
CID 134704539
3-methyl-5-(3-pyrazol-1-ylpropanoylamino)-1,2-thiazole-4-carboxylic acid
CID 60868636
3-pyrazol-1-yl-N-(1H-1,2,4-triazol-5-yl)propanamide
CID 61216623
5-bromo-N-(3,5-dimethyl-1H-pyrazol-4-yl)pentanamide
CID 107908306
N-(2-bromo-5-methylphenyl)-3-pyrazol-1-ylpropanamide
CID 82757585
N-(3-bromo-5-methylphenyl)-3-pyrazol-1-ylpropanamide
CID 104939286
N-(2,3-dimethylquinoxalin-6-yl)-3-pyrazol-1-ylpropanamide
CID 92596027
3-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
CID 167807980
N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(4-nitroimidazol-1-yl)propanamide
CID 43546550
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 4825893

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-pyrazol-1-ylpropanamide?
The IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-pyrazol-1-ylpropanamide (CID 43546402) is N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-pyrazol-1-ylpropanamide?
The canonical SMILES for N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-pyrazol-1-ylpropanamide is Cc1n[nH]c(C)c1NC(=O)CCn1cccn1.
What is the InChIKey of N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-pyrazol-1-ylpropanamide?
The InChIKey is VKGRMTYPMOHELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-8-11(9(2)15-14-8)13-10(17)4-7-16-6-3-5-12-16/h3,5-6H,4,7H2,1-2H3,(H,13,17)(H,14,15).
What are the key properties of N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-pyrazol-1-ylpropanamide?
N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-pyrazol-1-ylpropanamide has a molecular weight of 233.28 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-pyrazol-1-ylpropanamide is sourced from PubChem (CID 43546402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).