2-[3-[3-(4-methylpyrazol-1-yl)propylcarbamoyl]pyrazol-1-yl]acetic acid

C13H17N5O3 — CID 19500273

IUPAC2-[3-[3-(4-methylpyrazol-1-yl)propylcarbamoyl]pyrazol-1-yl]acetic acid
SMILESCc1cnn(CCCNC(=O)c2ccn(CC(=O)O)n2)c1
InChIInChI=1S/C13H17N5O3/c1-10-7-15-17(8-10)5-2-4-14-13(21)11-3-6-18(16-11)9-12(19)20/h3,6-8H,2,4-5,9H2,1H3,(H,14,21)(H,19,20)
InChIKeyUSOUZJNCIQHHEF-UHFFFAOYSA-N
MW291.31 g/mol
LogP0.29
Rot. Bonds7

About 2-[3-[3-(4-methylpyrazol-1-yl)propylcarbamoyl]pyrazol-1-yl]acetic acid

2-[3-[3-(4-methylpyrazol-1-yl)propylcarbamoyl]pyrazol-1-yl]acetic acid (PubChem CID 19500273) has the molecular formula C13H17N5O3 and a molecular weight of 291.31 g/mol. Its IUPAC name is 2-[3-[3-(4-methylpyrazol-1-yl)propylcarbamoyl]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[3-(4-methylpyrazol-1-yl)propylcarbamoyl]pyrazol-1-yl]acetic acid
PubChem CID19500273
Molecular FormulaC13H17N5O3
Molecular Weight291.31 g/mol
Exact Mass291.13
IUPAC Name2-[3-[3-(4-methylpyrazol-1-yl)propylcarbamoyl]pyrazol-1-yl]acetic acid
SMILESCc1cnn(CCCNC(=O)c2ccn(CC(=O)O)n2)c1
InChIInChI=1S/C13H17N5O3/c1-10-7-15-17(8-10)5-2-4-14-13(21)11-3-6-18(16-11)9-12(19)20/h3,6-8H,2,4-5,9H2,1H3,(H,14,21)(H,19,20)
InChIKeyUSOUZJNCIQHHEF-UHFFFAOYSA-N
XLogP0.29
TPSA102.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4-methylpyrazol-1-yl)propyl]-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
CID 19328190
1-[(4-bromophenoxy)methyl]-N-[3-(4-methylpyrazol-1-yl)propyl]pyrazole-3-carboxamide
CID 19328139
2-[3-[2-(4-chloropyrazol-1-yl)ethylcarbamoyl]pyrazol-1-yl]acetic acid
CID 19623408
2-[3-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propylcarbamoyl]pyrazol-1-yl]acetic acid
CID 19500222
N-[3-(4-methylpyrazol-1-yl)propyl]-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide
CID 19328136
2-[3-(2-pyrazol-1-ylethylcarbamoyl)pyrazol-1-yl]acetic acid
CID 19623378
N-[3-(4-chloropyrazol-1-yl)propyl]-1-(methoxymethyl)pyrazole-3-carboxamide
CID 19270945
2-ethyl-N-[3-(4-methylpyrazol-1-yl)propyl]butanamide
CID 19327956
N-[3-(4-methylpyrazol-1-yl)propyl]acetamide
CID 19328226
4-chloro-N-[3-(4-methylpyrazol-1-yl)propyl]benzamide
CID 4862990
2-[3-(2-phenylethylcarbamoyl)pyrazol-1-yl]acetic acid
CID 19623363
3-[3-[3-(dimethylamino)propylcarbamoyl]pyrazol-1-yl]propanoic acid
CID 19506557

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(4-methylpyrazol-1-yl)propylcarbamoyl]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[3-[3-(4-methylpyrazol-1-yl)propylcarbamoyl]pyrazol-1-yl]acetic acid (CID 19500273) is 2-[3-[3-(4-methylpyrazol-1-yl)propylcarbamoyl]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-[3-(4-methylpyrazol-1-yl)propylcarbamoyl]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[3-[3-(4-methylpyrazol-1-yl)propylcarbamoyl]pyrazol-1-yl]acetic acid is Cc1cnn(CCCNC(=O)c2ccn(CC(=O)O)n2)c1.
What is the InChIKey of 2-[3-[3-(4-methylpyrazol-1-yl)propylcarbamoyl]pyrazol-1-yl]acetic acid?
The InChIKey is USOUZJNCIQHHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O3/c1-10-7-15-17(8-10)5-2-4-14-13(21)11-3-6-18(16-11)9-12(19)20/h3,6-8H,2,4-5,9H2,1H3,(H,14,21)(H,19,20).
What are the key properties of 2-[3-[3-(4-methylpyrazol-1-yl)propylcarbamoyl]pyrazol-1-yl]acetic acid?
2-[3-[3-(4-methylpyrazol-1-yl)propylcarbamoyl]pyrazol-1-yl]acetic acid has a molecular weight of 291.31 g/mol, XLogP of 0.29, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(4-methylpyrazol-1-yl)propylcarbamoyl]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 19500273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).