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

C12H19N3O3 — CID 19621949

IUPAC2-[4-(dipropylcarbamoyl)pyrazol-1-yl]acetic acid
SMILESCCCN(CCC)C(=O)c1cnn(CC(=O)O)c1
InChIInChI=1S/C12H19N3O3/c1-3-5-14(6-4-2)12(18)10-7-13-15(8-10)9-11(16)17/h7-8H,3-6,9H2,1-2H3,(H,16,17)
InChIKeyWVUOOWOJRFGXLH-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.23
Rot. Bonds7

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

2-[4-(dipropylcarbamoyl)pyrazol-1-yl]acetic acid (PubChem CID 19621949) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-[4-(dipropylcarbamoyl)pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(dipropylcarbamoyl)pyrazol-1-yl]acetic acid
PubChem CID19621949
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name2-[4-(dipropylcarbamoyl)pyrazol-1-yl]acetic acid
SMILESCCCN(CCC)C(=O)c1cnn(CC(=O)O)c1
InChIInChI=1S/C12H19N3O3/c1-3-5-14(6-4-2)12(18)10-7-13-15(8-10)9-11(16)17/h7-8H,3-6,9H2,1-2H3,(H,16,17)
InChIKeyWVUOOWOJRFGXLH-UHFFFAOYSA-N
XLogP1.23
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromoethyl)-1-methyl-N-propylpyrazole-4-carboxamide
CID 80661307
2-(4-aminopyrazol-1-yl)-N,N-dipropylacetamide
CID 43445164
2-[4-[2-(dimethylamino)ethylcarbamoyl]pyrazol-1-yl]acetic acid
CID 19500660
2-[4-(dipropylsulfamoyl)pyrazol-1-yl]acetic acid
CID 43511008
N-(2-chloroethyl)-1-phenyl-N-propylpyrazole-4-carboxamide
CID 63393118
2-[4-(dicyclohexylcarbamoyl)pyrazol-1-yl]acetic acid
CID 19500473
2-[4-[[butyl(2-hydroxyethyl)carbamoyl]amino]pyrazol-1-yl]acetic acid
CID 61447696
2-[4-[[butyl(methyl)carbamoyl]amino]pyrazol-1-yl]acetic acid
CID 61184087
2-[4-[(1-ethylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]acetic acid
CID 19500808
3-[(1-ethylpyrazole-4-carbonyl)-methylamino]propanoic acid
CID 115731312
3-[ethyl-(1-methylpyrazole-4-carbonyl)amino]propanoic acid
CID 61008278
2-[4-(4-ethylsulfonylpiperazine-1-carbonyl)pyrazol-1-yl]acetic acid
CID 19622019

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dipropylcarbamoyl)pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-(dipropylcarbamoyl)pyrazol-1-yl]acetic acid (CID 19621949) is 2-[4-(dipropylcarbamoyl)pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(dipropylcarbamoyl)pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-(dipropylcarbamoyl)pyrazol-1-yl]acetic acid is CCCN(CCC)C(=O)c1cnn(CC(=O)O)c1.
What is the InChIKey of 2-[4-(dipropylcarbamoyl)pyrazol-1-yl]acetic acid?
The InChIKey is WVUOOWOJRFGXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-3-5-14(6-4-2)12(18)10-7-13-15(8-10)9-11(16)17/h7-8H,3-6,9H2,1-2H3,(H,16,17).
What are the key properties of 2-[4-(dipropylcarbamoyl)pyrazol-1-yl]acetic acid?
2-[4-(dipropylcarbamoyl)pyrazol-1-yl]acetic acid has a molecular weight of 253.30 g/mol, XLogP of 1.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dipropylcarbamoyl)pyrazol-1-yl]acetic acid is sourced from PubChem (CID 19621949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).