1-(4-chloro-1-propylpyrazol-5-yl)-4-thiophen-2-ylbutan-1-one

C14H17ClN2OS — CID 105130983

IUPAC1-(4-chloro-1-propylpyrazol-5-yl)-4-thiophen-2-ylbutan-1-one
SMILESCCCn1ncc(Cl)c1C(=O)CCCc1cccs1
InChIInChI=1S/C14H17ClN2OS/c1-2-8-17-14(12(15)10-16-17)13(18)7-3-5-11-6-4-9-19-11/h4,6,9-10H,2-3,5,7-8H2,1H3
InChIKeySYELMHVFQOMIOB-UHFFFAOYSA-N
MW296.82 g/mol
LogP4.21
Rot. Bonds7

About 1-(4-chloro-1-propylpyrazol-5-yl)-4-thiophen-2-ylbutan-1-one

1-(4-chloro-1-propylpyrazol-5-yl)-4-thiophen-2-ylbutan-1-one (PubChem CID 105130983) has the molecular formula C14H17ClN2OS and a molecular weight of 296.82 g/mol. Its IUPAC name is 1-(4-chloro-1-propylpyrazol-5-yl)-4-thiophen-2-ylbutan-1-one.

Molecular Properties

Compound Name1-(4-chloro-1-propylpyrazol-5-yl)-4-thiophen-2-ylbutan-1-one
PubChem CID105130983
Molecular FormulaC14H17ClN2OS
Molecular Weight296.82 g/mol
Exact Mass296.08
IUPAC Name1-(4-chloro-1-propylpyrazol-5-yl)-4-thiophen-2-ylbutan-1-one
SMILESCCCn1ncc(Cl)c1C(=O)CCCc1cccs1
InChIInChI=1S/C14H17ClN2OS/c1-2-8-17-14(12(15)10-16-17)13(18)7-3-5-11-6-4-9-19-11/h4,6,9-10H,2-3,5,7-8H2,1H3
InChIKeySYELMHVFQOMIOB-UHFFFAOYSA-N
XLogP4.21
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.82
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloro-1-propylpyrazol-5-yl)butan-1-one
CID 114639264
3-amino-1-(4-chloro-1-propylpyrazol-5-yl)propan-1-one
CID 114668210
1-(5-bromo-3-methyltriazol-4-yl)-4-thiophen-2-ylbutan-1-one
CID 106464403
2-propyl-N-(3-thiophen-2-ylpropyl)pyrazole-3-carboxamide
CID 171132785
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]decan-1-one
CID 115815131
1-(4-methoxy-1-propylpyrazol-5-yl)-2-thiophen-2-ylethanone
CID 114639732
1-(3,4-dichlorophenyl)-4-thiophen-2-ylbutan-1-one
CID 105076244
(3-bromothiophen-2-yl)-(4-chloro-1-propylpyrazol-5-yl)methanone
CID 115805645
6-amino-1-(4-chloro-1-propylpyrazol-5-yl)-4-ethylhexan-1-one
CID 114669598
1-(4-chloro-1-ethylpyrazol-5-yl)-N-ethyl-4-thiophen-2-ylbutan-1-amine
CID 105183296
1-(4-chloro-1-propylpyrazol-5-yl)-N-methyl-2-thiophen-2-ylethanamine
CID 114649430
2-(azetidin-3-yl)-1-(4-chloro-1-propylpyrazol-5-yl)ethanone
CID 114669802

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-propylpyrazol-5-yl)-4-thiophen-2-ylbutan-1-one?
The IUPAC name of 1-(4-chloro-1-propylpyrazol-5-yl)-4-thiophen-2-ylbutan-1-one (CID 105130983) is 1-(4-chloro-1-propylpyrazol-5-yl)-4-thiophen-2-ylbutan-1-one.
What is the SMILES notation for 1-(4-chloro-1-propylpyrazol-5-yl)-4-thiophen-2-ylbutan-1-one?
The canonical SMILES for 1-(4-chloro-1-propylpyrazol-5-yl)-4-thiophen-2-ylbutan-1-one is CCCn1ncc(Cl)c1C(=O)CCCc1cccs1.
What is the InChIKey of 1-(4-chloro-1-propylpyrazol-5-yl)-4-thiophen-2-ylbutan-1-one?
The InChIKey is SYELMHVFQOMIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2OS/c1-2-8-17-14(12(15)10-16-17)13(18)7-3-5-11-6-4-9-19-11/h4,6,9-10H,2-3,5,7-8H2,1H3.
What are the key properties of 1-(4-chloro-1-propylpyrazol-5-yl)-4-thiophen-2-ylbutan-1-one?
1-(4-chloro-1-propylpyrazol-5-yl)-4-thiophen-2-ylbutan-1-one has a molecular weight of 296.82 g/mol, XLogP of 4.21, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-propylpyrazol-5-yl)-4-thiophen-2-ylbutan-1-one is sourced from PubChem (CID 105130983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).