N-cyclopropyl-2-[4-[1-(3-methylthiophen-2-yl)ethylamino]pyrazol-1-yl]acetamide

C15H20N4OS — CID 63992875

IUPACN-cyclopropyl-2-[4-[1-(3-methylthiophen-2-yl)ethylamino]pyrazol-1-yl]acetamide
SMILESCc1ccsc1C(C)Nc1cnn(CC(=O)NC2CC2)c1
InChIInChI=1S/C15H20N4OS/c1-10-5-6-21-15(10)11(2)17-13-7-16-19(8-13)9-14(20)18-12-3-4-12/h5-8,11-12,17H,3-4,9H2,1-2H3,(H,18,20)
InChIKeyJEHOJLPGVSPTFB-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.70
Rot. Bonds6

About N-cyclopropyl-2-[4-[1-(3-methylthiophen-2-yl)ethylamino]pyrazol-1-yl]acetamide

N-cyclopropyl-2-[4-[1-(3-methylthiophen-2-yl)ethylamino]pyrazol-1-yl]acetamide (PubChem CID 63992875) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-[1-(3-methylthiophen-2-yl)ethylamino]pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-[1-(3-methylthiophen-2-yl)ethylamino]pyrazol-1-yl]acetamide
PubChem CID63992875
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC NameN-cyclopropyl-2-[4-[1-(3-methylthiophen-2-yl)ethylamino]pyrazol-1-yl]acetamide
SMILESCc1ccsc1C(C)Nc1cnn(CC(=O)NC2CC2)c1
InChIInChI=1S/C15H20N4OS/c1-10-5-6-21-15(10)11(2)17-13-7-16-19(8-13)9-14(20)18-12-3-4-12/h5-8,11-12,17H,3-4,9H2,1-2H3,(H,18,20)
InChIKeyJEHOJLPGVSPTFB-UHFFFAOYSA-N
XLogP2.70
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-[1-(3-methylthiophen-2-yl)ethylamino]pyrazol-1-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-[4-[1-(3-methylthiophen-2-yl)ethylamino]pyrazol-1-yl]acetamide (CID 63992875) is N-cyclopropyl-2-[4-[1-(3-methylthiophen-2-yl)ethylamino]pyrazol-1-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[4-[1-(3-methylthiophen-2-yl)ethylamino]pyrazol-1-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[4-[1-(3-methylthiophen-2-yl)ethylamino]pyrazol-1-yl]acetamide is Cc1ccsc1C(C)Nc1cnn(CC(=O)NC2CC2)c1.
What is the InChIKey of N-cyclopropyl-2-[4-[1-(3-methylthiophen-2-yl)ethylamino]pyrazol-1-yl]acetamide?
The InChIKey is JEHOJLPGVSPTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-10-5-6-21-15(10)11(2)17-13-7-16-19(8-13)9-14(20)18-12-3-4-12/h5-8,11-12,17H,3-4,9H2,1-2H3,(H,18,20).
What are the key properties of N-cyclopropyl-2-[4-[1-(3-methylthiophen-2-yl)ethylamino]pyrazol-1-yl]acetamide?
N-cyclopropyl-2-[4-[1-(3-methylthiophen-2-yl)ethylamino]pyrazol-1-yl]acetamide has a molecular weight of 304.42 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-[1-(3-methylthiophen-2-yl)ethylamino]pyrazol-1-yl]acetamide is sourced from PubChem (CID 63992875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).