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

C11H18N4O3 — CID 19500595

IUPAC2-[4-[3-(dimethylamino)propylcarbamoyl]pyrazol-1-yl]acetic acid
SMILESCN(C)CCCNC(=O)c1cnn(CC(=O)O)c1
InChIInChI=1S/C11H18N4O3/c1-14(2)5-3-4-12-11(18)9-6-13-15(7-9)8-10(16)17/h6-7H,3-5,8H2,1-2H3,(H,12,18)(H,16,17)
InChIKeyLIECBSKDLBCAOV-UHFFFAOYSA-N
MW254.29 g/mol
LogP-0.35
Rot. Bonds7

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

2-[4-[3-(dimethylamino)propylcarbamoyl]pyrazol-1-yl]acetic acid (PubChem CID 19500595) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-[4-[3-(dimethylamino)propylcarbamoyl]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[3-(dimethylamino)propylcarbamoyl]pyrazol-1-yl]acetic acid
PubChem CID19500595
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name2-[4-[3-(dimethylamino)propylcarbamoyl]pyrazol-1-yl]acetic acid
SMILESCN(C)CCCNC(=O)c1cnn(CC(=O)O)c1
InChIInChI=1S/C11H18N4O3/c1-14(2)5-3-4-12-11(18)9-6-13-15(7-9)8-10(16)17/h6-7H,3-5,8H2,1-2H3,(H,12,18)(H,16,17)
InChIKeyLIECBSKDLBCAOV-UHFFFAOYSA-N
XLogP-0.35
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(dimethylamino)propylcarbamoyl]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[3-(dimethylamino)propylcarbamoyl]pyrazol-1-yl]acetic acid (CID 19500595) is 2-[4-[3-(dimethylamino)propylcarbamoyl]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[3-(dimethylamino)propylcarbamoyl]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[3-(dimethylamino)propylcarbamoyl]pyrazol-1-yl]acetic acid is CN(C)CCCNC(=O)c1cnn(CC(=O)O)c1.
What is the InChIKey of 2-[4-[3-(dimethylamino)propylcarbamoyl]pyrazol-1-yl]acetic acid?
The InChIKey is LIECBSKDLBCAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-14(2)5-3-4-12-11(18)9-6-13-15(7-9)8-10(16)17/h6-7H,3-5,8H2,1-2H3,(H,12,18)(H,16,17).
What are the key properties of 2-[4-[3-(dimethylamino)propylcarbamoyl]pyrazol-1-yl]acetic acid?
2-[4-[3-(dimethylamino)propylcarbamoyl]pyrazol-1-yl]acetic acid has a molecular weight of 254.29 g/mol, XLogP of -0.35, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(dimethylamino)propylcarbamoyl]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 19500595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).