5-amino-1-(cyclopropylmethyl)pyrazole-4-carboxylic acid

C8H11N3O2 — CID 84657830

IUPAC5-amino-1-(cyclopropylmethyl)pyrazole-4-carboxylic acid
SMILESNc1c(C(=O)O)cnn1CC1CC1
InChIInChI=1S/C8H11N3O2/c9-7-6(8(12)13)3-10-11(7)4-5-1-2-5/h3,5H,1-2,4,9H2,(H,12,13)
InChIKeyLBMPCSBJQTVIAV-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.57
Rot. Bonds3

About 5-amino-1-(cyclopropylmethyl)pyrazole-4-carboxylic acid

5-amino-1-(cyclopropylmethyl)pyrazole-4-carboxylic acid (PubChem CID 84657830) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 5-amino-1-(cyclopropylmethyl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-amino-1-(cyclopropylmethyl)pyrazole-4-carboxylic acid
PubChem CID84657830
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name5-amino-1-(cyclopropylmethyl)pyrazole-4-carboxylic acid
SMILESNc1c(C(=O)O)cnn1CC1CC1
InChIInChI=1S/C8H11N3O2/c9-7-6(8(12)13)3-10-11(7)4-5-1-2-5/h3,5H,1-2,4,9H2,(H,12,13)
InChIKeyLBMPCSBJQTVIAV-UHFFFAOYSA-N
XLogP0.57
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(cyclopropylmethyl)pyrazole-4-carboxylic acid?
The IUPAC name of 5-amino-1-(cyclopropylmethyl)pyrazole-4-carboxylic acid (CID 84657830) is 5-amino-1-(cyclopropylmethyl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-amino-1-(cyclopropylmethyl)pyrazole-4-carboxylic acid?
The canonical SMILES for 5-amino-1-(cyclopropylmethyl)pyrazole-4-carboxylic acid is Nc1c(C(=O)O)cnn1CC1CC1.
What is the InChIKey of 5-amino-1-(cyclopropylmethyl)pyrazole-4-carboxylic acid?
The InChIKey is LBMPCSBJQTVIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c9-7-6(8(12)13)3-10-11(7)4-5-1-2-5/h3,5H,1-2,4,9H2,(H,12,13).
What are the key properties of 5-amino-1-(cyclopropylmethyl)pyrazole-4-carboxylic acid?
5-amino-1-(cyclopropylmethyl)pyrazole-4-carboxylic acid has a molecular weight of 181.19 g/mol, XLogP of 0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(cyclopropylmethyl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 84657830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).