N-methyl-3-pyrazol-1-yl-N-(thiophen-3-ylmethyl)propan-1-amine

C12H17N3S — CID 50967142

IUPACN-methyl-3-pyrazol-1-yl-N-(thiophen-3-ylmethyl)propan-1-amine
SMILESCN(CCCn1cccn1)Cc1ccsc1
InChIInChI=1S/C12H17N3S/c1-14(10-12-4-9-16-11-12)6-3-8-15-7-2-5-13-15/h2,4-5,7,9,11H,3,6,8,10H2,1H3
InChIKeyVEPCIZXJKRAPEB-UHFFFAOYSA-N
MW235.36 g/mol
LogP2.47
Rot. Bonds6

About N-methyl-3-pyrazol-1-yl-N-(thiophen-3-ylmethyl)propan-1-amine

N-methyl-3-pyrazol-1-yl-N-(thiophen-3-ylmethyl)propan-1-amine (PubChem CID 50967142) has the molecular formula C12H17N3S and a molecular weight of 235.36 g/mol. Its IUPAC name is N-methyl-3-pyrazol-1-yl-N-(thiophen-3-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-pyrazol-1-yl-N-(thiophen-3-ylmethyl)propan-1-amine
PubChem CID50967142
Molecular FormulaC12H17N3S
Molecular Weight235.36 g/mol
Exact Mass235.11
IUPAC NameN-methyl-3-pyrazol-1-yl-N-(thiophen-3-ylmethyl)propan-1-amine
SMILESCN(CCCn1cccn1)Cc1ccsc1
InChIInChI=1S/C12H17N3S/c1-14(10-12-4-9-16-11-12)6-3-8-15-7-2-5-13-15/h2,4-5,7,9,11H,3,6,8,10H2,1H3
InChIKeyVEPCIZXJKRAPEB-UHFFFAOYSA-N
XLogP2.47
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.36
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-pyrazol-1-yl-N-(thiophen-3-ylmethyl)propan-1-amine?
The IUPAC name of N-methyl-3-pyrazol-1-yl-N-(thiophen-3-ylmethyl)propan-1-amine (CID 50967142) is N-methyl-3-pyrazol-1-yl-N-(thiophen-3-ylmethyl)propan-1-amine.
What is the SMILES notation for N-methyl-3-pyrazol-1-yl-N-(thiophen-3-ylmethyl)propan-1-amine?
The canonical SMILES for N-methyl-3-pyrazol-1-yl-N-(thiophen-3-ylmethyl)propan-1-amine is CN(CCCn1cccn1)Cc1ccsc1.
What is the InChIKey of N-methyl-3-pyrazol-1-yl-N-(thiophen-3-ylmethyl)propan-1-amine?
The InChIKey is VEPCIZXJKRAPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S/c1-14(10-12-4-9-16-11-12)6-3-8-15-7-2-5-13-15/h2,4-5,7,9,11H,3,6,8,10H2,1H3.
What are the key properties of N-methyl-3-pyrazol-1-yl-N-(thiophen-3-ylmethyl)propan-1-amine?
N-methyl-3-pyrazol-1-yl-N-(thiophen-3-ylmethyl)propan-1-amine has a molecular weight of 235.36 g/mol, XLogP of 2.47, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-pyrazol-1-yl-N-(thiophen-3-ylmethyl)propan-1-amine is sourced from PubChem (CID 50967142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).