2-[4-[1-(5-chlorothiophen-3-yl)ethylamino]pyrazol-1-yl]-N-cyclopropylacetamide

C14H17ClN4OS — CID 102976956

IUPAC2-[4-[1-(5-chlorothiophen-3-yl)ethylamino]pyrazol-1-yl]-N-cyclopropylacetamide
SMILESCC(Nc1cnn(CC(=O)NC2CC2)c1)c1csc(Cl)c1
InChIInChI=1S/C14H17ClN4OS/c1-9(10-4-13(15)21-8-10)17-12-5-16-19(6-12)7-14(20)18-11-2-3-11/h4-6,8-9,11,17H,2-3,7H2,1H3,(H,18,20)
InChIKeyKWZIZINZSBLIPE-UHFFFAOYSA-N
MW324.84 g/mol
LogP3.05
Rot. Bonds6

About 2-[4-[1-(5-chlorothiophen-3-yl)ethylamino]pyrazol-1-yl]-N-cyclopropylacetamide

2-[4-[1-(5-chlorothiophen-3-yl)ethylamino]pyrazol-1-yl]-N-cyclopropylacetamide (PubChem CID 102976956) has the molecular formula C14H17ClN4OS and a molecular weight of 324.84 g/mol. Its IUPAC name is 2-[4-[1-(5-chlorothiophen-3-yl)ethylamino]pyrazol-1-yl]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[4-[1-(5-chlorothiophen-3-yl)ethylamino]pyrazol-1-yl]-N-cyclopropylacetamide
PubChem CID102976956
Molecular FormulaC14H17ClN4OS
Molecular Weight324.84 g/mol
Exact Mass324.08
IUPAC Name2-[4-[1-(5-chlorothiophen-3-yl)ethylamino]pyrazol-1-yl]-N-cyclopropylacetamide
SMILESCC(Nc1cnn(CC(=O)NC2CC2)c1)c1csc(Cl)c1
InChIInChI=1S/C14H17ClN4OS/c1-9(10-4-13(15)21-8-10)17-12-5-16-19(6-12)7-14(20)18-11-2-3-11/h4-6,8-9,11,17H,2-3,7H2,1H3,(H,18,20)
InChIKeyKWZIZINZSBLIPE-UHFFFAOYSA-N
XLogP3.05
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.84
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-2-[4-(1-pyridin-4-ylethylamino)pyrazol-1-yl]acetamide
CID 60931706
N-cyclopropyl-2-[4-(propan-2-ylamino)pyrazol-1-yl]acetamide
CID 60931819
N-cyclopropyl-2-[4-(1-thiophen-2-ylethylamino)pyrazol-1-yl]acetamide
CID 60931705
N-cyclopropyl-2-[4-[1-(3-methylthiophen-2-yl)ethylamino]pyrazol-1-yl]acetamide
CID 63992875
N-cyclopropyl-2-[4-(5-methylheptan-3-ylamino)pyrazol-1-yl]acetamide
CID 60931941
N-cyclopropyl-2-[4-(1-ethoxypropan-2-ylamino)pyrazol-1-yl]acetamide
CID 115997520
N-cyclopropyl-2-[4-(hexan-3-ylamino)pyrazol-1-yl]acetamide
CID 103960972
N-cyclopropyl-2-[4-(propylsulfonylamino)pyrazol-1-yl]acetamide
CID 61061294
2-bromo-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-3-methylbutanamide
CID 60933891
(2S)-2-(3-chlorophenoxy)-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]propanamide
CID 52503874
(2S)-2-(4-chlorophenoxy)-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]propanamide
CID 155950480
4-chloro-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]butanamide
CID 63307715

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(5-chlorothiophen-3-yl)ethylamino]pyrazol-1-yl]-N-cyclopropylacetamide?
The IUPAC name of 2-[4-[1-(5-chlorothiophen-3-yl)ethylamino]pyrazol-1-yl]-N-cyclopropylacetamide (CID 102976956) is 2-[4-[1-(5-chlorothiophen-3-yl)ethylamino]pyrazol-1-yl]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[4-[1-(5-chlorothiophen-3-yl)ethylamino]pyrazol-1-yl]-N-cyclopropylacetamide?
The canonical SMILES for 2-[4-[1-(5-chlorothiophen-3-yl)ethylamino]pyrazol-1-yl]-N-cyclopropylacetamide is CC(Nc1cnn(CC(=O)NC2CC2)c1)c1csc(Cl)c1.
What is the InChIKey of 2-[4-[1-(5-chlorothiophen-3-yl)ethylamino]pyrazol-1-yl]-N-cyclopropylacetamide?
The InChIKey is KWZIZINZSBLIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4OS/c1-9(10-4-13(15)21-8-10)17-12-5-16-19(6-12)7-14(20)18-11-2-3-11/h4-6,8-9,11,17H,2-3,7H2,1H3,(H,18,20).
What are the key properties of 2-[4-[1-(5-chlorothiophen-3-yl)ethylamino]pyrazol-1-yl]-N-cyclopropylacetamide?
2-[4-[1-(5-chlorothiophen-3-yl)ethylamino]pyrazol-1-yl]-N-cyclopropylacetamide has a molecular weight of 324.84 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(5-chlorothiophen-3-yl)ethylamino]pyrazol-1-yl]-N-cyclopropylacetamide is sourced from PubChem (CID 102976956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).