2-[cyclopropyl-(1,3-dimethyl-4-nitropyrazol-5-yl)amino]acetic acid

C10H14N4O4 — CID 54945668

IUPAC2-[cyclopropyl-(1,3-dimethyl-4-nitropyrazol-5-yl)amino]acetic acid
SMILESCc1nn(C)c(N(CC(=O)O)C2CC2)c1[N+](=O)[O-]
InChIInChI=1S/C10H14N4O4/c1-6-9(14(17)18)10(12(2)11-6)13(5-8(15)16)7-3-4-7/h7H,3-5H2,1-2H3,(H,15,16)
InChIKeyJPHXNRKUGKSLRY-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.69
Rot. Bonds5

About 2-[cyclopropyl-(1,3-dimethyl-4-nitropyrazol-5-yl)amino]acetic acid

2-[cyclopropyl-(1,3-dimethyl-4-nitropyrazol-5-yl)amino]acetic acid (PubChem CID 54945668) has the molecular formula C10H14N4O4 and a molecular weight of 254.25 g/mol. Its IUPAC name is 2-[cyclopropyl-(1,3-dimethyl-4-nitropyrazol-5-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-(1,3-dimethyl-4-nitropyrazol-5-yl)amino]acetic acid
PubChem CID54945668
Molecular FormulaC10H14N4O4
Molecular Weight254.25 g/mol
Exact Mass254.10
IUPAC Name2-[cyclopropyl-(1,3-dimethyl-4-nitropyrazol-5-yl)amino]acetic acid
SMILESCc1nn(C)c(N(CC(=O)O)C2CC2)c1[N+](=O)[O-]
InChIInChI=1S/C10H14N4O4/c1-6-9(14(17)18)10(12(2)11-6)13(5-8(15)16)7-3-4-7/h7H,3-5H2,1-2H3,(H,15,16)
InChIKeyJPHXNRKUGKSLRY-UHFFFAOYSA-N
XLogP0.69
TPSA101.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-(1,3-dimethyl-4-nitropyrazol-5-yl)amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-(1,3-dimethyl-4-nitropyrazol-5-yl)amino]acetic acid (CID 54945668) is 2-[cyclopropyl-(1,3-dimethyl-4-nitropyrazol-5-yl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-(1,3-dimethyl-4-nitropyrazol-5-yl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-(1,3-dimethyl-4-nitropyrazol-5-yl)amino]acetic acid is Cc1nn(C)c(N(CC(=O)O)C2CC2)c1[N+](=O)[O-].
What is the InChIKey of 2-[cyclopropyl-(1,3-dimethyl-4-nitropyrazol-5-yl)amino]acetic acid?
The InChIKey is JPHXNRKUGKSLRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O4/c1-6-9(14(17)18)10(12(2)11-6)13(5-8(15)16)7-3-4-7/h7H,3-5H2,1-2H3,(H,15,16).
What are the key properties of 2-[cyclopropyl-(1,3-dimethyl-4-nitropyrazol-5-yl)amino]acetic acid?
2-[cyclopropyl-(1,3-dimethyl-4-nitropyrazol-5-yl)amino]acetic acid has a molecular weight of 254.25 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-(1,3-dimethyl-4-nitropyrazol-5-yl)amino]acetic acid is sourced from PubChem (CID 54945668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).