2-[3-[1-(3-methylpyrazol-1-yl)propan-2-ylcarbamoyl]pyrazol-1-yl]acetic acid

C13H17N5O3 — CID 19502021

IUPAC2-[3-[1-(3-methylpyrazol-1-yl)propan-2-ylcarbamoyl]pyrazol-1-yl]acetic acid
SMILESCc1ccn(CC(C)NC(=O)c2ccn(CC(=O)O)n2)n1
InChIInChI=1S/C13H17N5O3/c1-9-3-5-17(15-9)7-10(2)14-13(21)11-4-6-18(16-11)8-12(19)20/h3-6,10H,7-8H2,1-2H3,(H,14,21)(H,19,20)
InChIKeyNXXCFLZKVBXNJM-UHFFFAOYSA-N
MW291.31 g/mol
LogP0.29
Rot. Bonds6

About 2-[3-[1-(3-methylpyrazol-1-yl)propan-2-ylcarbamoyl]pyrazol-1-yl]acetic acid

2-[3-[1-(3-methylpyrazol-1-yl)propan-2-ylcarbamoyl]pyrazol-1-yl]acetic acid (PubChem CID 19502021) has the molecular formula C13H17N5O3 and a molecular weight of 291.31 g/mol. Its IUPAC name is 2-[3-[1-(3-methylpyrazol-1-yl)propan-2-ylcarbamoyl]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[1-(3-methylpyrazol-1-yl)propan-2-ylcarbamoyl]pyrazol-1-yl]acetic acid
PubChem CID19502021
Molecular FormulaC13H17N5O3
Molecular Weight291.31 g/mol
Exact Mass291.13
IUPAC Name2-[3-[1-(3-methylpyrazol-1-yl)propan-2-ylcarbamoyl]pyrazol-1-yl]acetic acid
SMILESCc1ccn(CC(C)NC(=O)c2ccn(CC(=O)O)n2)n1
InChIInChI=1S/C13H17N5O3/c1-9-3-5-17(15-9)7-10(2)14-13(21)11-4-6-18(16-11)8-12(19)20/h3-6,10H,7-8H2,1-2H3,(H,14,21)(H,19,20)
InChIKeyNXXCFLZKVBXNJM-UHFFFAOYSA-N
XLogP0.29
TPSA102.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[5-[1-(3-methylpyrazol-1-yl)propan-2-ylcarbamoyl]pyrazol-1-yl]propanoic acid
CID 19491997
2-[3-[1-(4-propan-2-ylphenyl)propylcarbamoyl]pyrazol-1-yl]acetic acid
CID 19500181
3-[3-[1-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ylcarbamoyl]pyrazol-1-yl]propanoic acid
CID 19470499
2-[3-[(3,5-dimethylphenyl)carbamoyl]pyrazol-1-yl]acetic acid
CID 19500034
2-acetamido-3-(3-methylpyrazol-1-yl)propanoic acid
CID 64582293
2-[3-[(3-methoxycarbonyl-4,5-dimethylthiophen-2-yl)carbamoyl]pyrazol-1-yl]acetic acid
CID 19500135
2-[3-[1-(1-adamantyl)propylcarbamoyl]pyrazol-1-yl]acetic acid
CID 19500151
2-[3-(2-phenylethylcarbamoyl)pyrazol-1-yl]acetic acid
CID 19623363
2-[3-(pyridin-4-ylcarbamoyl)pyrazol-1-yl]acetic acid
CID 19500075
1-[2-(butan-2-ylamino)-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19624158
2-[3-[3-(4-methylpyrazol-1-yl)propylcarbamoyl]pyrazol-1-yl]acetic acid
CID 19500273
2-[3-[(3-chloro-4-methylphenyl)carbamoyl]pyrazol-1-yl]acetic acid
CID 19500163

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(3-methylpyrazol-1-yl)propan-2-ylcarbamoyl]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[3-[1-(3-methylpyrazol-1-yl)propan-2-ylcarbamoyl]pyrazol-1-yl]acetic acid (CID 19502021) is 2-[3-[1-(3-methylpyrazol-1-yl)propan-2-ylcarbamoyl]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-[1-(3-methylpyrazol-1-yl)propan-2-ylcarbamoyl]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[3-[1-(3-methylpyrazol-1-yl)propan-2-ylcarbamoyl]pyrazol-1-yl]acetic acid is Cc1ccn(CC(C)NC(=O)c2ccn(CC(=O)O)n2)n1.
What is the InChIKey of 2-[3-[1-(3-methylpyrazol-1-yl)propan-2-ylcarbamoyl]pyrazol-1-yl]acetic acid?
The InChIKey is NXXCFLZKVBXNJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O3/c1-9-3-5-17(15-9)7-10(2)14-13(21)11-4-6-18(16-11)8-12(19)20/h3-6,10H,7-8H2,1-2H3,(H,14,21)(H,19,20).
What are the key properties of 2-[3-[1-(3-methylpyrazol-1-yl)propan-2-ylcarbamoyl]pyrazol-1-yl]acetic acid?
2-[3-[1-(3-methylpyrazol-1-yl)propan-2-ylcarbamoyl]pyrazol-1-yl]acetic acid has a molecular weight of 291.31 g/mol, XLogP of 0.29, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-(3-methylpyrazol-1-yl)propan-2-ylcarbamoyl]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 19502021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).