(3-methylthiophen-2-yl)-(1H-pyrazol-4-yl)methanamine

C9H11N3S — CID 82236060

IUPAC(3-methylthiophen-2-yl)-(1H-pyrazol-4-yl)methanamine
SMILESCc1ccsc1C(N)c1cn[nH]c1
InChIInChI=1S/C9H11N3S/c1-6-2-3-13-9(6)8(10)7-4-11-12-5-7/h2-5,8H,10H2,1H3,(H,11,12)
InChIKeyYOCVPWHBMSMMBW-UHFFFAOYSA-N
MW193.28 g/mol
LogP1.83
Rot. Bonds2

About (3-methylthiophen-2-yl)-(1H-pyrazol-4-yl)methanamine

(3-methylthiophen-2-yl)-(1H-pyrazol-4-yl)methanamine (PubChem CID 82236060) has the molecular formula C9H11N3S and a molecular weight of 193.28 g/mol. Its IUPAC name is (3-methylthiophen-2-yl)-(1H-pyrazol-4-yl)methanamine.

Molecular Properties

Compound Name(3-methylthiophen-2-yl)-(1H-pyrazol-4-yl)methanamine
PubChem CID82236060
Molecular FormulaC9H11N3S
Molecular Weight193.28 g/mol
Exact Mass193.07
IUPAC Name(3-methylthiophen-2-yl)-(1H-pyrazol-4-yl)methanamine
SMILESCc1ccsc1C(N)c1cn[nH]c1
InChIInChI=1S/C9H11N3S/c1-6-2-3-13-9(6)8(10)7-4-11-12-5-7/h2-5,8H,10H2,1H3,(H,11,12)
InChIKeyYOCVPWHBMSMMBW-UHFFFAOYSA-N
XLogP1.83
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.28
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-methylthiophen-2-yl)-(1H-pyrazol-4-yl)methanamine?
The IUPAC name of (3-methylthiophen-2-yl)-(1H-pyrazol-4-yl)methanamine (CID 82236060) is (3-methylthiophen-2-yl)-(1H-pyrazol-4-yl)methanamine.
What is the SMILES notation for (3-methylthiophen-2-yl)-(1H-pyrazol-4-yl)methanamine?
The canonical SMILES for (3-methylthiophen-2-yl)-(1H-pyrazol-4-yl)methanamine is Cc1ccsc1C(N)c1cn[nH]c1.
What is the InChIKey of (3-methylthiophen-2-yl)-(1H-pyrazol-4-yl)methanamine?
The InChIKey is YOCVPWHBMSMMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3S/c1-6-2-3-13-9(6)8(10)7-4-11-12-5-7/h2-5,8H,10H2,1H3,(H,11,12).
What are the key properties of (3-methylthiophen-2-yl)-(1H-pyrazol-4-yl)methanamine?
(3-methylthiophen-2-yl)-(1H-pyrazol-4-yl)methanamine has a molecular weight of 193.28 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylthiophen-2-yl)-(1H-pyrazol-4-yl)methanamine is sourced from PubChem (CID 82236060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).