1-(1-benzhydrylazetidin-3-yl)pyrazole-4-carboxylic acid

C20H19N3O2 — CID 129052797

IUPAC1-(1-benzhydrylazetidin-3-yl)pyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(C2CN(C(c3ccccc3)c3ccccc3)C2)c1
InChIInChI=1S/C20H19N3O2/c24-20(25)17-11-21-23(12-17)18-13-22(14-18)19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-12,18-19H,13-14H2,(H,24,25)
InChIKeyVXVMBOAEDHQARK-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.23
Rot. Bonds5

About 1-(1-benzhydrylazetidin-3-yl)pyrazole-4-carboxylic acid

1-(1-benzhydrylazetidin-3-yl)pyrazole-4-carboxylic acid (PubChem CID 129052797) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 1-(1-benzhydrylazetidin-3-yl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(1-benzhydrylazetidin-3-yl)pyrazole-4-carboxylic acid
PubChem CID129052797
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name1-(1-benzhydrylazetidin-3-yl)pyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(C2CN(C(c3ccccc3)c3ccccc3)C2)c1
InChIInChI=1S/C20H19N3O2/c24-20(25)17-11-21-23(12-17)18-13-22(14-18)19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-12,18-19H,13-14H2,(H,24,25)
InChIKeyVXVMBOAEDHQARK-UHFFFAOYSA-N
XLogP3.23
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(1-benzhydrylazetidin-3-yl)pyrazole-4-carboxylic acid with MolForge

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

Launch Full Analysis

Related Compounds

1-(3-hydroxycyclopentyl)pyrazole-4-carboxylic acid
CID 84733356
(1-benzhydrylazetidin-3-yl)-piperidin-1-ylmethanone
CID 131875139
5-(1-benzhydrylazetidin-3-yl)oxycarbonylpyridine-3-carboxylic acid
CID 141173413
(4-benzhydrylpiperazin-1-yl)-(1-phenylpyrazol-4-yl)methanone
CID 9041268
1-(1,1-dioxothiolan-3-yl)pyrazole-4-carboxylic acid
CID 24689706
1-[1-(3-methylbenzoyl)piperidin-3-yl]pyrazole-4-carboxylic acid
CID 166193415
1-[1-(2-methylphenyl)sulfonylpiperidin-3-yl]pyrazole-4-carboxylic acid
CID 138044069
(1-benzhydrylazetidin-3-yl)-cyclopropylcarbamic acid
CID 69107586
(3S,4S,5S,6S)-1-benzhydrylazepane-3,4,5,6-tetrol
CID 10568359
1-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-3-yl]pyrazole-4-carboxylic acid
CID 131453126
1-[(1R,2R)-2-hydroxycyclohexyl]pyrazole-4-carboxylic acid
CID 94560602
1-(1-benzhydrylazetidin-3-yl)-4-fluoropiperidine
CID 21184137

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzhydrylazetidin-3-yl)pyrazole-4-carboxylic acid?
The IUPAC name of 1-(1-benzhydrylazetidin-3-yl)pyrazole-4-carboxylic acid (CID 129052797) is 1-(1-benzhydrylazetidin-3-yl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-(1-benzhydrylazetidin-3-yl)pyrazole-4-carboxylic acid?
The canonical SMILES for 1-(1-benzhydrylazetidin-3-yl)pyrazole-4-carboxylic acid is O=C(O)c1cnn(C2CN(C(c3ccccc3)c3ccccc3)C2)c1.
What is the InChIKey of 1-(1-benzhydrylazetidin-3-yl)pyrazole-4-carboxylic acid?
The InChIKey is VXVMBOAEDHQARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c24-20(25)17-11-21-23(12-17)18-13-22(14-18)19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-12,18-19H,13-14H2,(H,24,25).
What are the key properties of 1-(1-benzhydrylazetidin-3-yl)pyrazole-4-carboxylic acid?
1-(1-benzhydrylazetidin-3-yl)pyrazole-4-carboxylic acid has a molecular weight of 333.39 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzhydrylazetidin-3-yl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 129052797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).