[3-chloro-1-(5-chloro-3-pyridinyl)pyrazol-4-yl]-(2,2-dimethylpropyl)carbamic acid

C14H16Cl2N4O2 — CID 118897506

IUPAC[3-chloro-1-(5-chloro-3-pyridinyl)pyrazol-4-yl]-(2,2-dimethylpropyl)carbamic acid
SMILESCC(C)(C)CN(C(=O)O)c1cn(-c2cncc(Cl)c2)nc1Cl
InChIInChI=1S/C14H16Cl2N4O2/c1-14(2,3)8-19(13(21)22)11-7-20(18-12(11)16)10-4-9(15)5-17-6-10/h4-7H,8H2,1-3H3,(H,21,22)
InChIKeyLPTRKFJRADBTAH-UHFFFAOYSA-N
MW343.21 g/mol
LogP4.10
Rot. Bonds3

About [3-chloro-1-(5-chloro-3-pyridinyl)pyrazol-4-yl]-(2,2-dimethylpropyl)carbamic acid

[3-chloro-1-(5-chloro-3-pyridinyl)pyrazol-4-yl]-(2,2-dimethylpropyl)carbamic acid (PubChem CID 118897506) has the molecular formula C14H16Cl2N4O2 and a molecular weight of 343.21 g/mol. Its IUPAC name is [3-chloro-1-(5-chloro-3-pyridinyl)pyrazol-4-yl]-(2,2-dimethylpropyl)carbamic acid.

Molecular Properties

Compound Name[3-chloro-1-(5-chloro-3-pyridinyl)pyrazol-4-yl]-(2,2-dimethylpropyl)carbamic acid
PubChem CID118897506
Molecular FormulaC14H16Cl2N4O2
Molecular Weight343.21 g/mol
Exact Mass342.07
IUPAC Name[3-chloro-1-(5-chloro-3-pyridinyl)pyrazol-4-yl]-(2,2-dimethylpropyl)carbamic acid
SMILESCC(C)(C)CN(C(=O)O)c1cn(-c2cncc(Cl)c2)nc1Cl
InChIInChI=1S/C14H16Cl2N4O2/c1-14(2,3)8-19(13(21)22)11-7-20(18-12(11)16)10-4-9(15)5-17-6-10/h4-7H,8H2,1-3H3,(H,21,22)
InChIKeyLPTRKFJRADBTAH-UHFFFAOYSA-N
XLogP4.10
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.21
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-chloro-1-(5-chloro-3-pyridinyl)pyrazol-4-yl]-(2,2-dimethylpropyl)carbamic 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

2-chloro-5-(1H-pyrazol-1-yl)pyridine
CID 71755453
2-Chloro-5-(4-chloropyrazol-1-yl)pyridine
CID 101466830
3-Chloro-N-methyl-N-[(1-methylpyrazol-4-YL)methyl]pyridin-4-amine
CID 71924498
[3-Ethyl-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-methylcarbamic acid
CID 67498920
(Z)-N-(3-chloro-1-(5-fluoropyridin-3-yl)-1H-pyrazol-4-yl)-N-ethyl-2-methylbut-2-enamide
CID 67499273
N-[3-chloro-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-N-ethyl-2-methylbut-2-enamide
CID 67499275
(5-Fluoro-3-methyl-1-pyridin-3-ylpyrazol-4-yl)-methylcarbamic acid
CID 67499608
[3-Ethenyl-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-methylcarbamic acid
CID 67499761
[1-(5-Fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-prop-2-enylcarbamic acid
CID 67517974
tert-butyl N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-[(2,2-difluorocyclopropyl)methyl]carbamate
CID 69260954
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-4,4-difluoropentanamide
CID 69261186
N-[3-chloro-1-(5-fluoro-3-pyridinyl)pyrazol-4-yl]-N-ethyl-2-methylpropanamide
CID 69261352

Frequently Asked Questions

What is the IUPAC name of [3-chloro-1-(5-chloro-3-pyridinyl)pyrazol-4-yl]-(2,2-dimethylpropyl)carbamic acid?
The IUPAC name of [3-chloro-1-(5-chloro-3-pyridinyl)pyrazol-4-yl]-(2,2-dimethylpropyl)carbamic acid (CID 118897506) is [3-chloro-1-(5-chloro-3-pyridinyl)pyrazol-4-yl]-(2,2-dimethylpropyl)carbamic acid.
What is the SMILES notation for [3-chloro-1-(5-chloro-3-pyridinyl)pyrazol-4-yl]-(2,2-dimethylpropyl)carbamic acid?
The canonical SMILES for [3-chloro-1-(5-chloro-3-pyridinyl)pyrazol-4-yl]-(2,2-dimethylpropyl)carbamic acid is CC(C)(C)CN(C(=O)O)c1cn(-c2cncc(Cl)c2)nc1Cl.
What is the InChIKey of [3-chloro-1-(5-chloro-3-pyridinyl)pyrazol-4-yl]-(2,2-dimethylpropyl)carbamic acid?
The InChIKey is LPTRKFJRADBTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N4O2/c1-14(2,3)8-19(13(21)22)11-7-20(18-12(11)16)10-4-9(15)5-17-6-10/h4-7H,8H2,1-3H3,(H,21,22).
What are the key properties of [3-chloro-1-(5-chloro-3-pyridinyl)pyrazol-4-yl]-(2,2-dimethylpropyl)carbamic acid?
[3-chloro-1-(5-chloro-3-pyridinyl)pyrazol-4-yl]-(2,2-dimethylpropyl)carbamic acid has a molecular weight of 343.21 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-1-(5-chloro-3-pyridinyl)pyrazol-4-yl]-(2,2-dimethylpropyl)carbamic acid is sourced from PubChem (CID 118897506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).