2-chloro-N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]-4-fluorobenzamide

C19H17ClFN3OS — CID 86266293

IUPAC2-chloro-N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]-4-fluorobenzamide
SMILESO=C(NCCn1nc(-c2ccsc2)cc1C1CC1)c1ccc(F)cc1Cl
InChIInChI=1S/C19H17ClFN3OS/c20-16-9-14(21)3-4-15(16)19(25)22-6-7-24-18(12-1-2-12)10-17(23-24)13-5-8-26-11-13/h3-5,8-12H,1-2,6-7H2,(H,22,25)
InChIKeyXAQVMSQXRRPZQT-UHFFFAOYSA-N
MW389.88 g/mol
LogP4.71
Rot. Bonds6

About 2-chloro-N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]-4-fluorobenzamide

2-chloro-N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]-4-fluorobenzamide (PubChem CID 86266293) has the molecular formula C19H17ClFN3OS and a molecular weight of 389.88 g/mol. Its IUPAC name is 2-chloro-N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]-4-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]-4-fluorobenzamide
PubChem CID86266293
Molecular FormulaC19H17ClFN3OS
Molecular Weight389.88 g/mol
Exact Mass389.08
IUPAC Name2-chloro-N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]-4-fluorobenzamide
SMILESO=C(NCCn1nc(-c2ccsc2)cc1C1CC1)c1ccc(F)cc1Cl
InChIInChI=1S/C19H17ClFN3OS/c20-16-9-14(21)3-4-15(16)19(25)22-6-7-24-18(12-1-2-12)10-17(23-24)13-5-8-26-11-13/h3-5,8-12H,1-2,6-7H2,(H,22,25)
InChIKeyXAQVMSQXRRPZQT-UHFFFAOYSA-N
XLogP4.71
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.88
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Afuresertib
CID 46843057
5-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(3-fluorophenyl)piperidin-3-yl]thiophene-2-carboxamide;hydrochloride
CID 155511113
N-[(2S)-1-amino-3-(3,4-difluorophenyl)propan-2-yl]-5-chloro-4-(4-chloro-2-methylpyrazol-3-yl)thiophene-2-carboxamide
CID 57826797
Afuresertib Hydrochloride
CID 46843056
N-[(2-Chlorophenyl)methyl]-3-(2-fluorophenyl)-1-methyl-1H-thieno[2,3-C]pyrazole-5-carboxamide
CID 16009525
4-(4-chloro-1-methylpyrazol-5-yl)-N-[4-(4-fluorophenyl)piperidin-4-yl]thiophene-2-carboxamide
CID 127049215
N-[(3S,4S)-4-(4-chlorophenyl)piperidin-3-yl]-5-(2-methylpyrazol-3-yl)thiophene-2-carboxamide;hydrochloride
CID 155512930
4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(4-chlorophenyl)piperidin-3-yl]thiophene-2-carboxamide
CID 155515321
N-[(3S,4S)-4-(3-fluorophenyl)piperidin-3-yl]-5-(2-methylpyrazol-3-yl)thiophene-2-carboxamide;hydrochloride
CID 155518023
4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(3-fluorophenyl)piperidin-3-yl]thiophene-2-carboxamide;hydrochloride
CID 155521934
5-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(4-chlorophenyl)piperidin-3-yl]thiophene-2-carboxamide;hydrochloride
CID 155523979
5-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-3-yl]thiophene-2-carboxamide;hydrochloride
CID 155528054

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]-4-fluorobenzamide?
The IUPAC name of 2-chloro-N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]-4-fluorobenzamide (CID 86266293) is 2-chloro-N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]-4-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]-4-fluorobenzamide?
The canonical SMILES for 2-chloro-N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]-4-fluorobenzamide is O=C(NCCn1nc(-c2ccsc2)cc1C1CC1)c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]-4-fluorobenzamide?
The InChIKey is XAQVMSQXRRPZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN3OS/c20-16-9-14(21)3-4-15(16)19(25)22-6-7-24-18(12-1-2-12)10-17(23-24)13-5-8-26-11-13/h3-5,8-12H,1-2,6-7H2,(H,22,25).
What are the key properties of 2-chloro-N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]-4-fluorobenzamide?
2-chloro-N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]-4-fluorobenzamide has a molecular weight of 389.88 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]-4-fluorobenzamide is sourced from PubChem (CID 86266293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).