(2-phenyl-3,4-dihydropyrazol-5-yl)-pyridin-3-ylcarbamic acid

C15H14N4O2 — CID 70352572

IUPAC(2-phenyl-3,4-dihydropyrazol-5-yl)-pyridin-3-ylcarbamic acid
SMILESO=C(O)N(C1=NN(c2ccccc2)CC1)c1cccnc1
InChIInChI=1S/C15H14N4O2/c20-15(21)19(13-7-4-9-16-11-13)14-8-10-18(17-14)12-5-2-1-3-6-12/h1-7,9,11H,8,10H2,(H,20,21)
InChIKeyVWDCLBILEJDDKL-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.79
Rot. Bonds2

About (2-phenyl-3,4-dihydropyrazol-5-yl)-pyridin-3-ylcarbamic acid

(2-phenyl-3,4-dihydropyrazol-5-yl)-pyridin-3-ylcarbamic acid (PubChem CID 70352572) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is (2-phenyl-3,4-dihydropyrazol-5-yl)-pyridin-3-ylcarbamic acid.

Molecular Properties

Compound Name(2-phenyl-3,4-dihydropyrazol-5-yl)-pyridin-3-ylcarbamic acid
PubChem CID70352572
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name(2-phenyl-3,4-dihydropyrazol-5-yl)-pyridin-3-ylcarbamic acid
SMILESO=C(O)N(C1=NN(c2ccccc2)CC1)c1cccnc1
InChIInChI=1S/C15H14N4O2/c20-15(21)19(13-7-4-9-16-11-13)14-8-10-18(17-14)12-5-2-1-3-6-12/h1-7,9,11H,8,10H2,(H,20,21)
InChIKeyVWDCLBILEJDDKL-UHFFFAOYSA-N
XLogP2.79
TPSA69.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2-phenyl-3,4-dihydropyrazol-5-yl)-pyridin-3-ylcarbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-phenyl-3,4-dihydropyrazol-5-yl)-pyridin-3-ylcarbamic acid?
The IUPAC name of (2-phenyl-3,4-dihydropyrazol-5-yl)-pyridin-3-ylcarbamic acid (CID 70352572) is (2-phenyl-3,4-dihydropyrazol-5-yl)-pyridin-3-ylcarbamic acid.
What is the SMILES notation for (2-phenyl-3,4-dihydropyrazol-5-yl)-pyridin-3-ylcarbamic acid?
The canonical SMILES for (2-phenyl-3,4-dihydropyrazol-5-yl)-pyridin-3-ylcarbamic acid is O=C(O)N(C1=NN(c2ccccc2)CC1)c1cccnc1.
What is the InChIKey of (2-phenyl-3,4-dihydropyrazol-5-yl)-pyridin-3-ylcarbamic acid?
The InChIKey is VWDCLBILEJDDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c20-15(21)19(13-7-4-9-16-11-13)14-8-10-18(17-14)12-5-2-1-3-6-12/h1-7,9,11H,8,10H2,(H,20,21).
What are the key properties of (2-phenyl-3,4-dihydropyrazol-5-yl)-pyridin-3-ylcarbamic acid?
(2-phenyl-3,4-dihydropyrazol-5-yl)-pyridin-3-ylcarbamic acid has a molecular weight of 282.30 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-3,4-dihydropyrazol-5-yl)-pyridin-3-ylcarbamic acid is sourced from PubChem (CID 70352572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).