4-(cyclopropylamino)-5-methyl-1H-pyrazole-3-carboxylic acid

C8H11N3O2 — CID 83696328

IUPAC4-(cyclopropylamino)-5-methyl-1H-pyrazole-3-carboxylic acid
SMILESCc1[nH]nc(C(=O)O)c1NC1CC1
InChIInChI=1S/C8H11N3O2/c1-4-6(9-5-2-3-5)7(8(12)13)11-10-4/h5,9H,2-3H2,1H3,(H,10,11)(H,12,13)
InChIKeyZSIFDSFPNLXGPE-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.99
Rot. Bonds3

About 4-(cyclopropylamino)-5-methyl-1H-pyrazole-3-carboxylic acid

4-(cyclopropylamino)-5-methyl-1H-pyrazole-3-carboxylic acid (PubChem CID 83696328) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 4-(cyclopropylamino)-5-methyl-1H-pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name4-(cyclopropylamino)-5-methyl-1H-pyrazole-3-carboxylic acid
PubChem CID83696328
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name4-(cyclopropylamino)-5-methyl-1H-pyrazole-3-carboxylic acid
SMILESCc1[nH]nc(C(=O)O)c1NC1CC1
InChIInChI=1S/C8H11N3O2/c1-4-6(9-5-2-3-5)7(8(12)13)11-10-4/h5,9H,2-3H2,1H3,(H,10,11)(H,12,13)
InChIKeyZSIFDSFPNLXGPE-UHFFFAOYSA-N
XLogP0.99
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylamino)-5-methyl-1H-pyrazole-3-carboxylic acid?
The IUPAC name of 4-(cyclopropylamino)-5-methyl-1H-pyrazole-3-carboxylic acid (CID 83696328) is 4-(cyclopropylamino)-5-methyl-1H-pyrazole-3-carboxylic acid.
What is the SMILES notation for 4-(cyclopropylamino)-5-methyl-1H-pyrazole-3-carboxylic acid?
The canonical SMILES for 4-(cyclopropylamino)-5-methyl-1H-pyrazole-3-carboxylic acid is Cc1[nH]nc(C(=O)O)c1NC1CC1.
What is the InChIKey of 4-(cyclopropylamino)-5-methyl-1H-pyrazole-3-carboxylic acid?
The InChIKey is ZSIFDSFPNLXGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-4-6(9-5-2-3-5)7(8(12)13)11-10-4/h5,9H,2-3H2,1H3,(H,10,11)(H,12,13).
What are the key properties of 4-(cyclopropylamino)-5-methyl-1H-pyrazole-3-carboxylic acid?
4-(cyclopropylamino)-5-methyl-1H-pyrazole-3-carboxylic acid has a molecular weight of 181.19 g/mol, XLogP of 0.99, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylamino)-5-methyl-1H-pyrazole-3-carboxylic acid is sourced from PubChem (CID 83696328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).