N-cyclopent-2-en-1-yl-1-methyl-3-thiophen-2-ylpyrazol-5-amine

C13H15N3S — CID 69160549

IUPACN-cyclopent-2-en-1-yl-1-methyl-3-thiophen-2-ylpyrazol-5-amine
SMILESCn1nc(-c2cccs2)cc1NC1C=CCC1
InChIInChI=1S/C13H15N3S/c1-16-13(14-10-5-2-3-6-10)9-11(15-16)12-7-4-8-17-12/h2,4-5,7-10,14H,3,6H2,1H3
InChIKeyVCAQXPQUUDSKEO-UHFFFAOYSA-N
MW245.35 g/mol
LogP3.28
Rot. Bonds3

About N-cyclopent-2-en-1-yl-1-methyl-3-thiophen-2-ylpyrazol-5-amine

N-cyclopent-2-en-1-yl-1-methyl-3-thiophen-2-ylpyrazol-5-amine (PubChem CID 69160549) has the molecular formula C13H15N3S and a molecular weight of 245.35 g/mol. Its IUPAC name is N-cyclopent-2-en-1-yl-1-methyl-3-thiophen-2-ylpyrazol-5-amine.

Molecular Properties

Compound NameN-cyclopent-2-en-1-yl-1-methyl-3-thiophen-2-ylpyrazol-5-amine
PubChem CID69160549
Molecular FormulaC13H15N3S
Molecular Weight245.35 g/mol
Exact Mass245.10
IUPAC NameN-cyclopent-2-en-1-yl-1-methyl-3-thiophen-2-ylpyrazol-5-amine
SMILESCn1nc(-c2cccs2)cc1NC1C=CCC1
InChIInChI=1S/C13H15N3S/c1-16-13(14-10-5-2-3-6-10)9-11(15-16)12-7-4-8-17-12/h2,4-5,7-10,14H,3,6H2,1H3
InChIKeyVCAQXPQUUDSKEO-UHFFFAOYSA-N
XLogP3.28
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-Methyl-3-(thiophen-2-yl)-1H-pyrazol-5-amine
CID 2735377
1-(thiophen-2-ylmethyl)-1H-pyrazol-5-amine
CID 2517659
3-Methyl-1-(2-thienylmethyl)-1H-pyrazol-5-amine
CID 3154161
1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-5-amine
CID 16228641
1-methyl-3-(thiophen-3-yl)-1H-pyrazol-5-amine
CID 33783468
1-(2,5-Dimethylpyrazol-3-yl)-3-(2-thiophen-2-ylethyl)urea
CID 47198496
2-[5-amino-3-(2-thienyl)-1H-pyrazol-1-yl]-6-methylpyrimidin-4(3H)-one
CID 135876316
2-(5-amino-3-(thiophen-2-yl)-1H-pyrazol-1-yl)-6-propylpyrimidin-4(3H)-one
CID 135984525
N'-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)thiophene-2-carboximidamide
CID 2322865
2-(5-amino-3-(thiophen-2-yl)-1H-pyrazol-1-yl)ethan-1-ol
CID 16228635
3-(5-bromothiophen-2-yl)-1-methyl-1H-pyrazol-5-amine
CID 43158864
(E)-N-(1-isopropyl-3-methyl-1H-pyrazol-5-yl)-3-(thiophen-2-yl)acrylamide
CID 25836051

Frequently Asked Questions

What is the IUPAC name of N-cyclopent-2-en-1-yl-1-methyl-3-thiophen-2-ylpyrazol-5-amine?
The IUPAC name of N-cyclopent-2-en-1-yl-1-methyl-3-thiophen-2-ylpyrazol-5-amine (CID 69160549) is N-cyclopent-2-en-1-yl-1-methyl-3-thiophen-2-ylpyrazol-5-amine.
What is the SMILES notation for N-cyclopent-2-en-1-yl-1-methyl-3-thiophen-2-ylpyrazol-5-amine?
The canonical SMILES for N-cyclopent-2-en-1-yl-1-methyl-3-thiophen-2-ylpyrazol-5-amine is Cn1nc(-c2cccs2)cc1NC1C=CCC1.
What is the InChIKey of N-cyclopent-2-en-1-yl-1-methyl-3-thiophen-2-ylpyrazol-5-amine?
The InChIKey is VCAQXPQUUDSKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3S/c1-16-13(14-10-5-2-3-6-10)9-11(15-16)12-7-4-8-17-12/h2,4-5,7-10,14H,3,6H2,1H3.
What are the key properties of N-cyclopent-2-en-1-yl-1-methyl-3-thiophen-2-ylpyrazol-5-amine?
N-cyclopent-2-en-1-yl-1-methyl-3-thiophen-2-ylpyrazol-5-amine has a molecular weight of 245.35 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopent-2-en-1-yl-1-methyl-3-thiophen-2-ylpyrazol-5-amine is sourced from PubChem (CID 69160549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).