4-amino-5-propan-2-yl-1H-pyrazole-3-carboxylic acid

C7H11N3O2 — CID 22277424

IUPAC4-amino-5-propan-2-yl-1H-pyrazole-3-carboxylic acid
SMILESCC(C)c1[nH]nc(C(=O)O)c1N
InChIInChI=1S/C7H11N3O2/c1-3(2)5-4(8)6(7(11)12)10-9-5/h3H,8H2,1-2H3,(H,9,10)(H,11,12)
InChIKeyDDAVXDRRTDXUEV-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.81
Rot. Bonds2

About 4-amino-5-propan-2-yl-1H-pyrazole-3-carboxylic acid

4-amino-5-propan-2-yl-1H-pyrazole-3-carboxylic acid (PubChem CID 22277424) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 4-amino-5-propan-2-yl-1H-pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name4-amino-5-propan-2-yl-1H-pyrazole-3-carboxylic acid
PubChem CID22277424
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name4-amino-5-propan-2-yl-1H-pyrazole-3-carboxylic acid
SMILESCC(C)c1[nH]nc(C(=O)O)c1N
InChIInChI=1S/C7H11N3O2/c1-3(2)5-4(8)6(7(11)12)10-9-5/h3H,8H2,1-2H3,(H,9,10)(H,11,12)
InChIKeyDDAVXDRRTDXUEV-UHFFFAOYSA-N
XLogP0.81
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-propan-2-yl-1H-pyrazole-3-carboxylic acid?
The IUPAC name of 4-amino-5-propan-2-yl-1H-pyrazole-3-carboxylic acid (CID 22277424) is 4-amino-5-propan-2-yl-1H-pyrazole-3-carboxylic acid.
What is the SMILES notation for 4-amino-5-propan-2-yl-1H-pyrazole-3-carboxylic acid?
The canonical SMILES for 4-amino-5-propan-2-yl-1H-pyrazole-3-carboxylic acid is CC(C)c1[nH]nc(C(=O)O)c1N.
What is the InChIKey of 4-amino-5-propan-2-yl-1H-pyrazole-3-carboxylic acid?
The InChIKey is DDAVXDRRTDXUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-3(2)5-4(8)6(7(11)12)10-9-5/h3H,8H2,1-2H3,(H,9,10)(H,11,12).
What are the key properties of 4-amino-5-propan-2-yl-1H-pyrazole-3-carboxylic acid?
4-amino-5-propan-2-yl-1H-pyrazole-3-carboxylic acid has a molecular weight of 169.18 g/mol, XLogP of 0.81, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-propan-2-yl-1H-pyrazole-3-carboxylic acid is sourced from PubChem (CID 22277424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).