2-chloro-N-[4-[[(4-pyridin-3-yl-1H-pyrazol-5-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide

C23H23ClF3N5O — CID 59186801

IUPAC2-chloro-N-[4-[[(4-pyridin-3-yl-1H-pyrazol-5-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide
SMILESO=C(NC1CCC(CNc2[nH]ncc2-c2cccnc2)CC1)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C23H23ClF3N5O/c24-20-8-5-16(23(25,26)27)10-18(20)22(33)31-17-6-3-14(4-7-17)11-29-21-19(13-30-32-21)15-2-1-9-28-12-15/h1-2,5,8-10,12-14,17H,3-4,6-7,11H2,(H,31,33)(H2,29,30,32)
InChIKeyNYNKIADZYKNXRB-UHFFFAOYSA-N
MW477.92 g/mol
LogP5.54
Rot. Bonds6

About 2-chloro-N-[4-[[(4-pyridin-3-yl-1H-pyrazol-5-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide

2-chloro-N-[4-[[(4-pyridin-3-yl-1H-pyrazol-5-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide (PubChem CID 59186801) has the molecular formula C23H23ClF3N5O and a molecular weight of 477.92 g/mol. Its IUPAC name is 2-chloro-N-[4-[[(4-pyridin-3-yl-1H-pyrazol-5-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-[4-[[(4-pyridin-3-yl-1H-pyrazol-5-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide
PubChem CID59186801
Molecular FormulaC23H23ClF3N5O
Molecular Weight477.92 g/mol
Exact Mass477.15
IUPAC Name2-chloro-N-[4-[[(4-pyridin-3-yl-1H-pyrazol-5-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide
SMILESO=C(NC1CCC(CNc2[nH]ncc2-c2cccnc2)CC1)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C23H23ClF3N5O/c24-20-8-5-16(23(25,26)27)10-18(20)22(33)31-17-6-3-14(4-7-17)11-29-21-19(13-30-32-21)15-2-1-9-28-12-15/h1-2,5,8-10,12-14,17H,3-4,6-7,11H2,(H,31,33)(H2,29,30,32)
InChIKeyNYNKIADZYKNXRB-UHFFFAOYSA-N
XLogP5.54
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.92
LogP ≤ 55.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-chloro-N-[4-[[(4-pyridin-3-yl-1H-pyrazol-5-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide 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-chloro-N-[4-[[(4-pyridin-3-yl-1H-pyrazol-5-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-chloro-N-[4-[[(4-pyridin-3-yl-1H-pyrazol-5-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide (CID 59186801) is 2-chloro-N-[4-[[(4-pyridin-3-yl-1H-pyrazol-5-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-chloro-N-[4-[[(4-pyridin-3-yl-1H-pyrazol-5-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-chloro-N-[4-[[(4-pyridin-3-yl-1H-pyrazol-5-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide is O=C(NC1CCC(CNc2[nH]ncc2-c2cccnc2)CC1)c1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 2-chloro-N-[4-[[(4-pyridin-3-yl-1H-pyrazol-5-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide?
The InChIKey is NYNKIADZYKNXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClF3N5O/c24-20-8-5-16(23(25,26)27)10-18(20)22(33)31-17-6-3-14(4-7-17)11-29-21-19(13-30-32-21)15-2-1-9-28-12-15/h1-2,5,8-10,12-14,17H,3-4,6-7,11H2,(H,31,33)(H2,29,30,32).
What are the key properties of 2-chloro-N-[4-[[(4-pyridin-3-yl-1H-pyrazol-5-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide?
2-chloro-N-[4-[[(4-pyridin-3-yl-1H-pyrazol-5-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide has a molecular weight of 477.92 g/mol, XLogP of 5.54, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-[[(4-pyridin-3-yl-1H-pyrazol-5-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 59186801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).