N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]cyclopropanecarboxamide

C14H17N3OS — CID 121169632

IUPACN-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]cyclopropanecarboxamide
SMILESCc1cc(-c2cccs2)nn1CCNC(=O)C1CC1
InChIInChI=1S/C14H17N3OS/c1-10-9-12(13-3-2-8-19-13)16-17(10)7-6-15-14(18)11-4-5-11/h2-3,8-9,11H,4-7H2,1H3,(H,15,18)
InChIKeyDNVFFKGMKDTDNN-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.45
Rot. Bonds5

About N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]cyclopropanecarboxamide

N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]cyclopropanecarboxamide (PubChem CID 121169632) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]cyclopropanecarboxamide
PubChem CID121169632
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC NameN-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]cyclopropanecarboxamide
SMILESCc1cc(-c2cccs2)nn1CCNC(=O)C1CC1
InChIInChI=1S/C14H17N3OS/c1-10-9-12(13-3-2-8-19-13)16-17(10)7-6-15-14(18)11-4-5-11/h2-3,8-9,11H,4-7H2,1H3,(H,15,18)
InChIKeyDNVFFKGMKDTDNN-UHFFFAOYSA-N
XLogP2.45
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methylsulfonyl-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]piperidine-4-carboxamide
CID 121169759
N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2-phenylacetamide
CID 121169714
N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]cyclopropanecarboxamide
CID 71808092
2-(1,3-dioxoisoindol-2-yl)-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide
CID 121169761
N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-1,2-oxazole-5-carboxamide
CID 121169574
1-methyl-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2-oxopyridine-3-carboxamide
CID 121169591
N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2-(4-propan-2-ylphenyl)acetamide
CID 121169877
N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]quinoxaline-6-carboxamide
CID 121169831
2-(2-methoxyphenoxy)-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide
CID 121169703
1-[2-(4-methoxyphenyl)ethyl]-3-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]urea
CID 121169901
N-[2-(4-cyclopropyl-5-oxo-3-thiophen-2-yl-1,2,4-triazol-1-yl)ethyl]cyclobutanecarboxamide
CID 90541780
N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 121169579

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]cyclopropanecarboxamide (CID 121169632) is N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]cyclopropanecarboxamide is Cc1cc(-c2cccs2)nn1CCNC(=O)C1CC1.
What is the InChIKey of N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]cyclopropanecarboxamide?
The InChIKey is DNVFFKGMKDTDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-10-9-12(13-3-2-8-19-13)16-17(10)7-6-15-14(18)11-4-5-11/h2-3,8-9,11H,4-7H2,1H3,(H,15,18).
What are the key properties of N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]cyclopropanecarboxamide?
N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]cyclopropanecarboxamide has a molecular weight of 275.38 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 121169632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).