N-[1-amino-3-(4-fluorophenyl)propan-2-yl]-5-chloro-4-(4-chloro-1-ethylpyrazol-5-yl)thiophene-2-carboxamide

C19H19Cl2FN4OS — CID 76576572

IUPACN-[1-amino-3-(4-fluorophenyl)propan-2-yl]-5-chloro-4-(4-chloro-1-ethylpyrazol-5-yl)thiophene-2-carboxamide
SMILESCCn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2ccc(F)cc2)sc1Cl
InChIInChI=1S/C19H19Cl2FN4OS/c1-2-26-17(15(20)10-24-26)14-8-16(28-18(14)21)19(27)25-13(9-23)7-11-3-5-12(22)6-4-11/h3-6,8,10,13H,2,7,9,23H2,1H3,(H,25,27)
InChIKeyILFKCBDQQRSMIT-UHFFFAOYSA-N
MW441.36 g/mol
LogP4.38
Rot. Bonds7

About N-[1-amino-3-(4-fluorophenyl)propan-2-yl]-5-chloro-4-(4-chloro-1-ethylpyrazol-5-yl)thiophene-2-carboxamide

N-[1-amino-3-(4-fluorophenyl)propan-2-yl]-5-chloro-4-(4-chloro-1-ethylpyrazol-5-yl)thiophene-2-carboxamide (PubChem CID 76576572) has the molecular formula C19H19Cl2FN4OS and a molecular weight of 441.36 g/mol. Its IUPAC name is N-[1-amino-3-(4-fluorophenyl)propan-2-yl]-5-chloro-4-(4-chloro-1-ethylpyrazol-5-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-amino-3-(4-fluorophenyl)propan-2-yl]-5-chloro-4-(4-chloro-1-ethylpyrazol-5-yl)thiophene-2-carboxamide
PubChem CID76576572
Molecular FormulaC19H19Cl2FN4OS
Molecular Weight441.36 g/mol
Exact Mass440.06
IUPAC NameN-[1-amino-3-(4-fluorophenyl)propan-2-yl]-5-chloro-4-(4-chloro-1-ethylpyrazol-5-yl)thiophene-2-carboxamide
SMILESCCn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2ccc(F)cc2)sc1Cl
InChIInChI=1S/C19H19Cl2FN4OS/c1-2-26-17(15(20)10-24-26)14-8-16(28-18(14)21)19(27)25-13(9-23)7-11-3-5-12(22)6-4-11/h3-6,8,10,13H,2,7,9,23H2,1H3,(H,25,27)
InChIKeyILFKCBDQQRSMIT-UHFFFAOYSA-N
XLogP4.38
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.36
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-amino-3-(4-fluorophenyl)propan-2-yl]-5-chloro-4-(4-chloro-1-ethylpyrazol-5-yl)thiophene-2-carboxamide 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 N-[1-amino-3-(4-fluorophenyl)propan-2-yl]-5-chloro-4-(4-chloro-1-ethylpyrazol-5-yl)thiophene-2-carboxamide?
The IUPAC name of N-[1-amino-3-(4-fluorophenyl)propan-2-yl]-5-chloro-4-(4-chloro-1-ethylpyrazol-5-yl)thiophene-2-carboxamide (CID 76576572) is N-[1-amino-3-(4-fluorophenyl)propan-2-yl]-5-chloro-4-(4-chloro-1-ethylpyrazol-5-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-[1-amino-3-(4-fluorophenyl)propan-2-yl]-5-chloro-4-(4-chloro-1-ethylpyrazol-5-yl)thiophene-2-carboxamide?
The canonical SMILES for N-[1-amino-3-(4-fluorophenyl)propan-2-yl]-5-chloro-4-(4-chloro-1-ethylpyrazol-5-yl)thiophene-2-carboxamide is CCn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2ccc(F)cc2)sc1Cl.
What is the InChIKey of N-[1-amino-3-(4-fluorophenyl)propan-2-yl]-5-chloro-4-(4-chloro-1-ethylpyrazol-5-yl)thiophene-2-carboxamide?
The InChIKey is ILFKCBDQQRSMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2FN4OS/c1-2-26-17(15(20)10-24-26)14-8-16(28-18(14)21)19(27)25-13(9-23)7-11-3-5-12(22)6-4-11/h3-6,8,10,13H,2,7,9,23H2,1H3,(H,25,27).
What are the key properties of N-[1-amino-3-(4-fluorophenyl)propan-2-yl]-5-chloro-4-(4-chloro-1-ethylpyrazol-5-yl)thiophene-2-carboxamide?
N-[1-amino-3-(4-fluorophenyl)propan-2-yl]-5-chloro-4-(4-chloro-1-ethylpyrazol-5-yl)thiophene-2-carboxamide has a molecular weight of 441.36 g/mol, XLogP of 4.38, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-amino-3-(4-fluorophenyl)propan-2-yl]-5-chloro-4-(4-chloro-1-ethylpyrazol-5-yl)thiophene-2-carboxamide is sourced from PubChem (CID 76576572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).