2-[4-[2-(dimethylamino)ethylcarbamoyl]pyrazol-1-yl]acetic acid

C10H16N4O3 — CID 19500660

IUPAC2-[4-[2-(dimethylamino)ethylcarbamoyl]pyrazol-1-yl]acetic acid
SMILESCN(C)CCNC(=O)c1cnn(CC(=O)O)c1
InChIInChI=1S/C10H16N4O3/c1-13(2)4-3-11-10(17)8-5-12-14(6-8)7-9(15)16/h5-6H,3-4,7H2,1-2H3,(H,11,17)(H,15,16)
InChIKeyOGIYTAQDDJASGZ-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.74
Rot. Bonds6

About 2-[4-[2-(dimethylamino)ethylcarbamoyl]pyrazol-1-yl]acetic acid

2-[4-[2-(dimethylamino)ethylcarbamoyl]pyrazol-1-yl]acetic acid (PubChem CID 19500660) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-[4-[2-(dimethylamino)ethylcarbamoyl]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-(dimethylamino)ethylcarbamoyl]pyrazol-1-yl]acetic acid
PubChem CID19500660
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name2-[4-[2-(dimethylamino)ethylcarbamoyl]pyrazol-1-yl]acetic acid
SMILESCN(C)CCNC(=O)c1cnn(CC(=O)O)c1
InChIInChI=1S/C10H16N4O3/c1-13(2)4-3-11-10(17)8-5-12-14(6-8)7-9(15)16/h5-6H,3-4,7H2,1-2H3,(H,11,17)(H,15,16)
InChIKeyOGIYTAQDDJASGZ-UHFFFAOYSA-N
XLogP-0.74
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[2-[(4-chloro-1,5-dimethylpyrazole-3-carbonyl)amino]ethylcarbamoyl]pyrazol-1-yl]acetic acid
CID 19500814
2-[4-(dipropylcarbamoyl)pyrazol-1-yl]acetic acid
CID 19621949
2-[4-[(1-ethylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]acetic acid
CID 19500808
2-[4-(cyclooctylcarbamoyl)pyrazol-1-yl]acetic acid
CID 19621986
2-[4-[(4-bromo-1-ethylpyrazol-5-yl)methylcarbamoyl]pyrazol-1-yl]acetic acid
CID 19500739
2-[4-[2-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethylcarbamoyl]pyrazol-1-yl]acetic acid
CID 19500830
2-[4-[(5-chloro-2-methylphenyl)carbamoyl]pyrazol-1-yl]acetic acid
CID 19500472
2-[4-(furan-2-ylmethylcarbamoyl)pyrazol-1-yl]acetic acid
CID 19621941
2-[4-[(3,5-dichlorophenyl)carbamoyl]pyrazol-1-yl]acetic acid
CID 19500464
2-[4-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propylcarbamoyl]pyrazol-1-yl]acetic acid
CID 19500657
5-N-[2-(dimethylamino)ethyl]-3-N-propylpyridine-3,5-dicarboxamide
CID 109101145
2-(diethylamino)-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide
CID 109252730

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(dimethylamino)ethylcarbamoyl]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[2-(dimethylamino)ethylcarbamoyl]pyrazol-1-yl]acetic acid (CID 19500660) is 2-[4-[2-(dimethylamino)ethylcarbamoyl]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[2-(dimethylamino)ethylcarbamoyl]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[2-(dimethylamino)ethylcarbamoyl]pyrazol-1-yl]acetic acid is CN(C)CCNC(=O)c1cnn(CC(=O)O)c1.
What is the InChIKey of 2-[4-[2-(dimethylamino)ethylcarbamoyl]pyrazol-1-yl]acetic acid?
The InChIKey is OGIYTAQDDJASGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-13(2)4-3-11-10(17)8-5-12-14(6-8)7-9(15)16/h5-6H,3-4,7H2,1-2H3,(H,11,17)(H,15,16).
What are the key properties of 2-[4-[2-(dimethylamino)ethylcarbamoyl]pyrazol-1-yl]acetic acid?
2-[4-[2-(dimethylamino)ethylcarbamoyl]pyrazol-1-yl]acetic acid has a molecular weight of 240.26 g/mol, XLogP of -0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(dimethylamino)ethylcarbamoyl]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 19500660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).