N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine

C10H13N3S — CID 43435361

IUPACN-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine
SMILESCc1[nH]ncc1CNCc1cccs1
InChIInChI=1S/C10H13N3S/c1-8-9(6-12-13-8)5-11-7-10-3-2-4-14-10/h2-4,6,11H,5,7H2,1H3,(H,12,13)
InChIKeyXQMKQQJWGAQMRM-UHFFFAOYSA-N
MW207.30 g/mol
LogP2.07
Rot. Bonds4

About N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine (PubChem CID 43435361) has the molecular formula C10H13N3S and a molecular weight of 207.30 g/mol. Its IUPAC name is N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine.

Molecular Properties

Compound NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine
PubChem CID43435361
Molecular FormulaC10H13N3S
Molecular Weight207.30 g/mol
Exact Mass207.08
IUPAC NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine
SMILESCc1[nH]ncc1CNCc1cccs1
InChIInChI=1S/C10H13N3S/c1-8-9(6-12-13-8)5-11-7-10-3-2-4-14-10/h2-4,6,11H,5,7H2,1H3,(H,12,13)
InChIKeyXQMKQQJWGAQMRM-UHFFFAOYSA-N
XLogP2.07
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine?
The IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine (CID 43435361) is N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine.
What is the SMILES notation for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine?
The canonical SMILES for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine is Cc1[nH]ncc1CNCc1cccs1.
What is the InChIKey of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine?
The InChIKey is XQMKQQJWGAQMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3S/c1-8-9(6-12-13-8)5-11-7-10-3-2-4-14-10/h2-4,6,11H,5,7H2,1H3,(H,12,13).
What are the key properties of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine?
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine has a molecular weight of 207.30 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine is sourced from PubChem (CID 43435361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).