1-cyclopropyl-5-(1,3-dihydropyrazol-2-yl)pyrazole-4-carboxylic acid

C10H12N4O2 — CID 69161103

IUPAC1-cyclopropyl-5-(1,3-dihydropyrazol-2-yl)pyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(C2CC2)c1N1CC=CN1
InChIInChI=1S/C10H12N4O2/c15-10(16)8-6-12-14(7-2-3-7)9(8)13-5-1-4-11-13/h1,4,6-7,11H,2-3,5H2,(H,15,16)
InChIKeyVVHJPWVDRRCEBL-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.75
Rot. Bonds3

About 1-cyclopropyl-5-(1,3-dihydropyrazol-2-yl)pyrazole-4-carboxylic acid

1-cyclopropyl-5-(1,3-dihydropyrazol-2-yl)pyrazole-4-carboxylic acid (PubChem CID 69161103) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is 1-cyclopropyl-5-(1,3-dihydropyrazol-2-yl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropyl-5-(1,3-dihydropyrazol-2-yl)pyrazole-4-carboxylic acid
PubChem CID69161103
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name1-cyclopropyl-5-(1,3-dihydropyrazol-2-yl)pyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(C2CC2)c1N1CC=CN1
InChIInChI=1S/C10H12N4O2/c15-10(16)8-6-12-14(7-2-3-7)9(8)13-5-1-4-11-13/h1,4,6-7,11H,2-3,5H2,(H,15,16)
InChIKeyVVHJPWVDRRCEBL-UHFFFAOYSA-N
XLogP0.75
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-(1,3-dihydropyrazol-2-yl)pyrazole-4-carboxylic acid?
The IUPAC name of 1-cyclopropyl-5-(1,3-dihydropyrazol-2-yl)pyrazole-4-carboxylic acid (CID 69161103) is 1-cyclopropyl-5-(1,3-dihydropyrazol-2-yl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-cyclopropyl-5-(1,3-dihydropyrazol-2-yl)pyrazole-4-carboxylic acid?
The canonical SMILES for 1-cyclopropyl-5-(1,3-dihydropyrazol-2-yl)pyrazole-4-carboxylic acid is O=C(O)c1cnn(C2CC2)c1N1CC=CN1.
What is the InChIKey of 1-cyclopropyl-5-(1,3-dihydropyrazol-2-yl)pyrazole-4-carboxylic acid?
The InChIKey is VVHJPWVDRRCEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c15-10(16)8-6-12-14(7-2-3-7)9(8)13-5-1-4-11-13/h1,4,6-7,11H,2-3,5H2,(H,15,16).
What are the key properties of 1-cyclopropyl-5-(1,3-dihydropyrazol-2-yl)pyrazole-4-carboxylic acid?
1-cyclopropyl-5-(1,3-dihydropyrazol-2-yl)pyrazole-4-carboxylic acid has a molecular weight of 220.23 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-(1,3-dihydropyrazol-2-yl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 69161103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).