3,5-dimethyl-N-[2-(2-methylpropylamino)-2-oxoethyl]-1H-pyrazole-4-carboxamide

C12H20N4O2 — CID 112690090

IUPAC3,5-dimethyl-N-[2-(2-methylpropylamino)-2-oxoethyl]-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)NCC(=O)NCC(C)C
InChIInChI=1S/C12H20N4O2/c1-7(2)5-13-10(17)6-14-12(18)11-8(3)15-16-9(11)4/h7H,5-6H2,1-4H3,(H,13,17)(H,14,18)(H,15,16)
InChIKeyQGUYZJMBGYEXSN-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.53
Rot. Bonds5

About 3,5-dimethyl-N-[2-(2-methylpropylamino)-2-oxoethyl]-1H-pyrazole-4-carboxamide

3,5-dimethyl-N-[2-(2-methylpropylamino)-2-oxoethyl]-1H-pyrazole-4-carboxamide (PubChem CID 112690090) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 3,5-dimethyl-N-[2-(2-methylpropylamino)-2-oxoethyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[2-(2-methylpropylamino)-2-oxoethyl]-1H-pyrazole-4-carboxamide
PubChem CID112690090
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name3,5-dimethyl-N-[2-(2-methylpropylamino)-2-oxoethyl]-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)NCC(=O)NCC(C)C
InChIInChI=1S/C12H20N4O2/c1-7(2)5-13-10(17)6-14-12(18)11-8(3)15-16-9(11)4/h7H,5-6H2,1-4H3,(H,13,17)(H,14,18)(H,15,16)
InChIKeyQGUYZJMBGYEXSN-UHFFFAOYSA-N
XLogP0.53
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dimethyl-N-(2-methylbutyl)-1H-pyrazole-4-carboxamide
CID 62691865
3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-2-methylpropanoic acid
CID 62675345
N-[2-(cyclopropylamino)-2-oxoethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 43583025
N-[2-(2-hydroxypropylamino)ethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 104593791
N-(2-ethoxypropyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 115664893
N-(2,2-diethoxyethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 79547804
3,5-dimethyl-N-propyl-1H-pyrazole-4-carboxamide
CID 43582292
3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]butanoic acid
CID 43583226
N-[2-[butan-2-yl(methyl)amino]ethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 113232975
3,5-dimethyl-N-(2-piperidin-1-ylpropyl)-1H-pyrazole-4-carboxamide
CID 54903954
4-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-3-methoxybutanoic acid
CID 103153138
3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 115427297

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[2-(2-methylpropylamino)-2-oxoethyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-N-[2-(2-methylpropylamino)-2-oxoethyl]-1H-pyrazole-4-carboxamide (CID 112690090) is 3,5-dimethyl-N-[2-(2-methylpropylamino)-2-oxoethyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-[2-(2-methylpropylamino)-2-oxoethyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-[2-(2-methylpropylamino)-2-oxoethyl]-1H-pyrazole-4-carboxamide is Cc1n[nH]c(C)c1C(=O)NCC(=O)NCC(C)C.
What is the InChIKey of 3,5-dimethyl-N-[2-(2-methylpropylamino)-2-oxoethyl]-1H-pyrazole-4-carboxamide?
The InChIKey is QGUYZJMBGYEXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-7(2)5-13-10(17)6-14-12(18)11-8(3)15-16-9(11)4/h7H,5-6H2,1-4H3,(H,13,17)(H,14,18)(H,15,16).
What are the key properties of 3,5-dimethyl-N-[2-(2-methylpropylamino)-2-oxoethyl]-1H-pyrazole-4-carboxamide?
3,5-dimethyl-N-[2-(2-methylpropylamino)-2-oxoethyl]-1H-pyrazole-4-carboxamide has a molecular weight of 252.32 g/mol, XLogP of 0.53, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[2-(2-methylpropylamino)-2-oxoethyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 112690090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).