3-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]-2-methylpropanoic acid

C10H16N4O3 — CID 63756272

IUPAC3-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]-2-methylpropanoic acid
SMILESCc1nn(C)c(NCC(C)C(=O)O)c1C(N)=O
InChIInChI=1S/C10H16N4O3/c1-5(10(16)17)4-12-9-7(8(11)15)6(2)13-14(9)3/h5,12H,4H2,1-3H3,(H2,11,15)(H,16,17)
InChIKeyNYJIMCOBCCJHFG-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.04
Rot. Bonds5

About 3-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]-2-methylpropanoic acid

3-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]-2-methylpropanoic acid (PubChem CID 63756272) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 3-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]-2-methylpropanoic acid
PubChem CID63756272
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name3-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]-2-methylpropanoic acid
SMILESCc1nn(C)c(NCC(C)C(=O)O)c1C(N)=O
InChIInChI=1S/C10H16N4O3/c1-5(10(16)17)4-12-9-7(8(11)15)6(2)13-14(9)3/h5,12H,4H2,1-3H3,(H2,11,15)(H,16,17)
InChIKeyNYJIMCOBCCJHFG-UHFFFAOYSA-N
XLogP-0.04
TPSA110.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]methyl]butanoic acid
CID 65226774
5-(2-aminobutylamino)-1,3-dimethylpyrazole-4-carboxamide
CID 63757522
3-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]-2,2-dimethylpropanoic acid
CID 113307943
7-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]heptanoic acid
CID 63757140
1,3-dimethyl-5-[(2-methyl-3-methylsulfanylpropyl)amino]pyrazole-4-carboxylic acid
CID 63963813
1,3-dimethyl-5-[(3-methyl-2-propan-2-ylbutyl)amino]pyrazole-4-carbothioamide
CID 102906266
2-[1-[[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]methyl]cyclobutyl]acetic acid
CID 81162044
1,3-dimethyl-5-(2-methylsulfinylpropylamino)pyrazole-4-carbothioamide
CID 113484138
1,3-dimethyl-5-(piperidin-4-ylmethylamino)pyrazole-4-carboxamide
CID 63757516
5-[3-(cyclopropylamino)propylamino]-1,3-dimethylpyrazole-4-carboxamide
CID 63757857
3-[(1-ethyl-3-methyl-4-nitropyrazol-5-yl)amino]-2-methylpropanoic acid
CID 66012374
3-[(3-carbamoyl-2,6-dimethyl-4-pyridinyl)amino]-2-methylpropanoic acid
CID 81050962

Frequently Asked Questions

What is the IUPAC name of 3-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]-2-methylpropanoic acid (CID 63756272) is 3-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]-2-methylpropanoic acid is Cc1nn(C)c(NCC(C)C(=O)O)c1C(N)=O.
What is the InChIKey of 3-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]-2-methylpropanoic acid?
The InChIKey is NYJIMCOBCCJHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-5(10(16)17)4-12-9-7(8(11)15)6(2)13-14(9)3/h5,12H,4H2,1-3H3,(H2,11,15)(H,16,17).
What are the key properties of 3-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]-2-methylpropanoic acid?
3-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]-2-methylpropanoic acid has a molecular weight of 240.26 g/mol, XLogP of -0.04, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 63756272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).