[5-[(5-chlorothiophen-2-yl)methylamino]-3-(4-methylpiperidin-4-yl)pyrazol-1-yl]-thiophen-3-ylmethanone

C19H21ClN4OS2 — CID 154029307

IUPAC[5-[(5-chlorothiophen-2-yl)methylamino]-3-(4-methylpiperidin-4-yl)pyrazol-1-yl]-thiophen-3-ylmethanone
SMILESCC1(c2cc(NCc3ccc(Cl)s3)n(C(=O)c3ccsc3)n2)CCNCC1
InChIInChI=1S/C19H21ClN4OS2/c1-19(5-7-21-8-6-19)15-10-17(22-11-14-2-3-16(20)27-14)24(23-15)18(25)13-4-9-26-12-13/h2-4,9-10,12,21-22H,5-8,11H2,1H3
InChIKeyLKLXFHQKTBSRLB-UHFFFAOYSA-N
MW420.99 g/mol
LogP4.60
Rot. Bonds5

About [5-[(5-chlorothiophen-2-yl)methylamino]-3-(4-methylpiperidin-4-yl)pyrazol-1-yl]-thiophen-3-ylmethanone

[5-[(5-chlorothiophen-2-yl)methylamino]-3-(4-methylpiperidin-4-yl)pyrazol-1-yl]-thiophen-3-ylmethanone (PubChem CID 154029307) has the molecular formula C19H21ClN4OS2 and a molecular weight of 420.99 g/mol. Its IUPAC name is [5-[(5-chlorothiophen-2-yl)methylamino]-3-(4-methylpiperidin-4-yl)pyrazol-1-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[5-[(5-chlorothiophen-2-yl)methylamino]-3-(4-methylpiperidin-4-yl)pyrazol-1-yl]-thiophen-3-ylmethanone
PubChem CID154029307
Molecular FormulaC19H21ClN4OS2
Molecular Weight420.99 g/mol
Exact Mass420.08
IUPAC Name[5-[(5-chlorothiophen-2-yl)methylamino]-3-(4-methylpiperidin-4-yl)pyrazol-1-yl]-thiophen-3-ylmethanone
SMILESCC1(c2cc(NCc3ccc(Cl)s3)n(C(=O)c3ccsc3)n2)CCNCC1
InChIInChI=1S/C19H21ClN4OS2/c1-19(5-7-21-8-6-19)15-10-17(22-11-14-2-3-16(20)27-14)24(23-15)18(25)13-4-9-26-12-13/h2-4,9-10,12,21-22H,5-8,11H2,1H3
InChIKeyLKLXFHQKTBSRLB-UHFFFAOYSA-N
XLogP4.60
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.99
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[5-[(5-chlorothiophen-2-yl)methylamino]-3-piperidin-4-ylpyrazol-1-yl]-thiophen-3-ylmethanone;hydrochloride
CID 164945153
3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(thiophene-3-carbonyl)pyrazol-3-yl]-1-(pyridin-3-ylmethyl)pyridin-2-one
CID 133081284
3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(4-morpholin-4-ylbenzoyl)pyrazol-3-yl]-1-(thiophen-3-ylmethyl)pyridin-2-one
CID 133081302
[5-[(5-chlorothiophen-2-yl)methylamino]-3-piperidin-4-ylpyrazol-1-yl]-cyclohexylmethanone;hydrochloride
CID 122508976
3-[1-(4-tert-butylbenzoyl)-5-[(5-chlorothiophen-2-yl)methylamino]pyrazol-3-yl]-1H-pyridin-2-one
CID 137308196
5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-1-(2-oxo-2-thiophen-3-ylethyl)-3-pyridin-3-ylpyridin-2-one
CID 118959407
5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(2-fluorobenzoyl)pyrazol-3-yl]-6-morpholin-4-yl-1-(2-oxo-2-thiophen-3-ylethyl)pyridin-2-one
CID 118959363
[5-[2-(5-chlorothiophen-2-yl)ethyl]-3-(oxan-4-yl)pyrazol-1-yl]-thiophen-3-ylmethanone
CID 157050478
[5-[(5-chlorothiophen-2-yl)methylamino]-3-pyridin-2-ylpyrazol-1-yl]-(furan-3-yl)methanone
CID 133081358
1-[5-[(5-chlorothiophen-2-yl)methylamino]-3-(1,2-dihydropyridin-3-yl)pyrazol-1-yl]-2,2-dimethylpropan-1-one
CID 155283973
1-[5-[(5-chlorothiophen-2-yl)methylamino]-3-piperidin-3-ylpyrazol-1-yl]-3-hydroxy-2,2-dimethylpropan-1-one
CID 164945109
1-[5-[(5-chlorothiophen-2-yl)methylamino]-3-pyrrolidin-2-ylpyrazol-1-yl]-3-hydroxy-2,2-dimethylpropan-1-one
CID 135305933

Frequently Asked Questions

What is the IUPAC name of [5-[(5-chlorothiophen-2-yl)methylamino]-3-(4-methylpiperidin-4-yl)pyrazol-1-yl]-thiophen-3-ylmethanone?
The IUPAC name of [5-[(5-chlorothiophen-2-yl)methylamino]-3-(4-methylpiperidin-4-yl)pyrazol-1-yl]-thiophen-3-ylmethanone (CID 154029307) is [5-[(5-chlorothiophen-2-yl)methylamino]-3-(4-methylpiperidin-4-yl)pyrazol-1-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [5-[(5-chlorothiophen-2-yl)methylamino]-3-(4-methylpiperidin-4-yl)pyrazol-1-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [5-[(5-chlorothiophen-2-yl)methylamino]-3-(4-methylpiperidin-4-yl)pyrazol-1-yl]-thiophen-3-ylmethanone is CC1(c2cc(NCc3ccc(Cl)s3)n(C(=O)c3ccsc3)n2)CCNCC1.
What is the InChIKey of [5-[(5-chlorothiophen-2-yl)methylamino]-3-(4-methylpiperidin-4-yl)pyrazol-1-yl]-thiophen-3-ylmethanone?
The InChIKey is LKLXFHQKTBSRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4OS2/c1-19(5-7-21-8-6-19)15-10-17(22-11-14-2-3-16(20)27-14)24(23-15)18(25)13-4-9-26-12-13/h2-4,9-10,12,21-22H,5-8,11H2,1H3.
What are the key properties of [5-[(5-chlorothiophen-2-yl)methylamino]-3-(4-methylpiperidin-4-yl)pyrazol-1-yl]-thiophen-3-ylmethanone?
[5-[(5-chlorothiophen-2-yl)methylamino]-3-(4-methylpiperidin-4-yl)pyrazol-1-yl]-thiophen-3-ylmethanone has a molecular weight of 420.99 g/mol, XLogP of 4.60, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(5-chlorothiophen-2-yl)methylamino]-3-(4-methylpiperidin-4-yl)pyrazol-1-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 154029307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).