5-(5-ethylthiophen-2-yl)-N-propan-2-yl-1H-pyrazol-3-amine

C12H17N3S — CID 63047813

IUPAC5-(5-ethylthiophen-2-yl)-N-propan-2-yl-1H-pyrazol-3-amine
SMILESCCc1ccc(-c2cc(NC(C)C)n[nH]2)s1
InChIInChI=1S/C12H17N3S/c1-4-9-5-6-11(16-9)10-7-12(15-14-10)13-8(2)3/h5-8H,4H2,1-3H3,(H2,13,14,15)
InChIKeyDUOYUOCTPNLVKR-UHFFFAOYSA-N
MW235.36 g/mol
LogP3.52
Rot. Bonds4

About 5-(5-ethylthiophen-2-yl)-N-propan-2-yl-1H-pyrazol-3-amine

5-(5-ethylthiophen-2-yl)-N-propan-2-yl-1H-pyrazol-3-amine (PubChem CID 63047813) has the molecular formula C12H17N3S and a molecular weight of 235.36 g/mol. Its IUPAC name is 5-(5-ethylthiophen-2-yl)-N-propan-2-yl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(5-ethylthiophen-2-yl)-N-propan-2-yl-1H-pyrazol-3-amine
PubChem CID63047813
Molecular FormulaC12H17N3S
Molecular Weight235.36 g/mol
Exact Mass235.11
IUPAC Name5-(5-ethylthiophen-2-yl)-N-propan-2-yl-1H-pyrazol-3-amine
SMILESCCc1ccc(-c2cc(NC(C)C)n[nH]2)s1
InChIInChI=1S/C12H17N3S/c1-4-9-5-6-11(16-9)10-7-12(15-14-10)13-8(2)3/h5-8H,4H2,1-3H3,(H2,13,14,15)
InChIKeyDUOYUOCTPNLVKR-UHFFFAOYSA-N
XLogP3.52
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.36
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(5-ethylthiophen-2-yl)-N-propan-2-yl-1H-pyrazol-3-amine?
The IUPAC name of 5-(5-ethylthiophen-2-yl)-N-propan-2-yl-1H-pyrazol-3-amine (CID 63047813) is 5-(5-ethylthiophen-2-yl)-N-propan-2-yl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(5-ethylthiophen-2-yl)-N-propan-2-yl-1H-pyrazol-3-amine?
The canonical SMILES for 5-(5-ethylthiophen-2-yl)-N-propan-2-yl-1H-pyrazol-3-amine is CCc1ccc(-c2cc(NC(C)C)n[nH]2)s1.
What is the InChIKey of 5-(5-ethylthiophen-2-yl)-N-propan-2-yl-1H-pyrazol-3-amine?
The InChIKey is DUOYUOCTPNLVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S/c1-4-9-5-6-11(16-9)10-7-12(15-14-10)13-8(2)3/h5-8H,4H2,1-3H3,(H2,13,14,15).
What are the key properties of 5-(5-ethylthiophen-2-yl)-N-propan-2-yl-1H-pyrazol-3-amine?
5-(5-ethylthiophen-2-yl)-N-propan-2-yl-1H-pyrazol-3-amine has a molecular weight of 235.36 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-ethylthiophen-2-yl)-N-propan-2-yl-1H-pyrazol-3-amine is sourced from PubChem (CID 63047813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).