N-(2-methylpropyl)-5-(5-methylthiophen-2-yl)-1H-pyrazol-3-amine

C12H17N3S — CID 63049372

IUPACN-(2-methylpropyl)-5-(5-methylthiophen-2-yl)-1H-pyrazol-3-amine
SMILESCc1ccc(-c2cc(NCC(C)C)n[nH]2)s1
InChIInChI=1S/C12H17N3S/c1-8(2)7-13-12-6-10(14-15-12)11-5-4-9(3)16-11/h4-6,8H,7H2,1-3H3,(H2,13,14,15)
InChIKeyCTQCFSZJJSUOSV-UHFFFAOYSA-N
MW235.36 g/mol
LogP3.51
Rot. Bonds4

About N-(2-methylpropyl)-5-(5-methylthiophen-2-yl)-1H-pyrazol-3-amine

N-(2-methylpropyl)-5-(5-methylthiophen-2-yl)-1H-pyrazol-3-amine (PubChem CID 63049372) has the molecular formula C12H17N3S and a molecular weight of 235.36 g/mol. Its IUPAC name is N-(2-methylpropyl)-5-(5-methylthiophen-2-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-5-(5-methylthiophen-2-yl)-1H-pyrazol-3-amine
PubChem CID63049372
Molecular FormulaC12H17N3S
Molecular Weight235.36 g/mol
Exact Mass235.11
IUPAC NameN-(2-methylpropyl)-5-(5-methylthiophen-2-yl)-1H-pyrazol-3-amine
SMILESCc1ccc(-c2cc(NCC(C)C)n[nH]2)s1
InChIInChI=1S/C12H17N3S/c1-8(2)7-13-12-6-10(14-15-12)11-5-4-9(3)16-11/h4-6,8H,7H2,1-3H3,(H2,13,14,15)
InChIKeyCTQCFSZJJSUOSV-UHFFFAOYSA-N
XLogP3.51
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 ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-5-(5-methylthiophen-2-yl)-1H-pyrazol-3-amine?
The IUPAC name of N-(2-methylpropyl)-5-(5-methylthiophen-2-yl)-1H-pyrazol-3-amine (CID 63049372) is N-(2-methylpropyl)-5-(5-methylthiophen-2-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for N-(2-methylpropyl)-5-(5-methylthiophen-2-yl)-1H-pyrazol-3-amine?
The canonical SMILES for N-(2-methylpropyl)-5-(5-methylthiophen-2-yl)-1H-pyrazol-3-amine is Cc1ccc(-c2cc(NCC(C)C)n[nH]2)s1.
What is the InChIKey of N-(2-methylpropyl)-5-(5-methylthiophen-2-yl)-1H-pyrazol-3-amine?
The InChIKey is CTQCFSZJJSUOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S/c1-8(2)7-13-12-6-10(14-15-12)11-5-4-9(3)16-11/h4-6,8H,7H2,1-3H3,(H2,13,14,15).
What are the key properties of N-(2-methylpropyl)-5-(5-methylthiophen-2-yl)-1H-pyrazol-3-amine?
N-(2-methylpropyl)-5-(5-methylthiophen-2-yl)-1H-pyrazol-3-amine has a molecular weight of 235.36 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-5-(5-methylthiophen-2-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 63049372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).