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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Related Compounds

1-[(thiophen-3-yl)methyl]-1H-pyrazol-5-amine
CID 4962242
1-Methyl-3-(1-pyrazol-1-ylpropan-2-yl)-1-(thiophen-3-ylmethyl)urea
CID 45831697
N,N-dimethyl-N'-[(5-methyl-1-propyl-1H-pyrazol-4-yl)methyl]-N'-(3-thienylmethyl)ethane-1,2-diamine
CID 46986262
7-[(1-Methylpyrazol-4-yl)methyl]-2-(thiophen-3-ylmethyl)-2,7-diazaspiro[3.4]octane
CID 97392900
2-[(1-Methylpyrazol-4-yl)methyl]-7-(thiophen-3-ylmethyl)-2,7-diazaspiro[3.4]octane
CID 97472772
1-(Thiophen-2-yl)-1H-pyrazole
CID 12554484
N-[(1-methyl-1H-pyrazol-4-yl)methyl]-N-[(3-methyl-2-thienyl)methyl]ethanamine
CID 50984756
N-methyl-2-(2-pyrazol-1-ylethylamino)-N-(thiophen-3-ylmethyl)acetamide
CID 56781302
1-methyl-N-propyl-N-(thiophen-3-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 72717936
1-(Thiophen-3-ylmethyl)-3-(trifluoromethyl)pyrazole
CID 116621382
Thiophene;1-(trifluoromethyl)pyrazole
CID 158116758
1-(1,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-(3-thienylmethyl)methanamine
CID 50964030

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).