3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-(thiophen-3-ylmethyl)propan-1-amine

C14H21N3S — CID 77094011

IUPAC3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-(thiophen-3-ylmethyl)propan-1-amine
SMILESCc1n[nH]c(C)c1CCCN(C)Cc1ccsc1
InChIInChI=1S/C14H21N3S/c1-11-14(12(2)16-15-11)5-4-7-17(3)9-13-6-8-18-10-13/h6,8,10H,4-5,7,9H2,1-3H3,(H,15,16)
InChIKeyRAHCCCIEUJKJST-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.15
Rot. Bonds6

About 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-(thiophen-3-ylmethyl)propan-1-amine

3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-(thiophen-3-ylmethyl)propan-1-amine (PubChem CID 77094011) has the molecular formula C14H21N3S and a molecular weight of 263.41 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-(thiophen-3-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-(thiophen-3-ylmethyl)propan-1-amine
PubChem CID77094011
Molecular FormulaC14H21N3S
Molecular Weight263.41 g/mol
Exact Mass263.15
IUPAC Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-(thiophen-3-ylmethyl)propan-1-amine
SMILESCc1n[nH]c(C)c1CCCN(C)Cc1ccsc1
InChIInChI=1S/C14H21N3S/c1-11-14(12(2)16-15-11)5-4-7-17(3)9-13-6-8-18-10-13/h6,8,10H,4-5,7,9H2,1-3H3,(H,15,16)
InChIKeyRAHCCCIEUJKJST-UHFFFAOYSA-N
XLogP3.15
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methylpropan-1-amine
CID 118794146
N,3,5-trimethyl-N-(thiophen-3-ylmethyl)-1H-pyrazole-4-carboxamide
CID 43581982
3-bromo-N-methyl-N-(thiophen-3-ylmethyl)propan-1-amine
CID 61286719
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methyl-3-(4-methyl-1,3-thiazol-5-yl)propan-1-amine
CID 29258366
6-[methyl(thiophen-3-ylmethyl)amino]hexan-1-ol
CID 103737759
N'-methyl-N-propyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 61386692
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]propan-1-amine
CID 74245488
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-(2-methylsulfonylethyl)propan-1-amine;formic acid
CID 154914359
2-[4-[[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl-methylamino]methyl]-3-methylpyrazol-1-yl]ethanol
CID 131938527
N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methylthian-4-amine
CID 91838453
N'-methyl-N-(3-propan-2-yloxypropyl)-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 55090335
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]propan-1-amine
CID 131943796

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-(thiophen-3-ylmethyl)propan-1-amine?
The IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-(thiophen-3-ylmethyl)propan-1-amine (CID 77094011) is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-(thiophen-3-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-(thiophen-3-ylmethyl)propan-1-amine?
The canonical SMILES for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-(thiophen-3-ylmethyl)propan-1-amine is Cc1n[nH]c(C)c1CCCN(C)Cc1ccsc1.
What is the InChIKey of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-(thiophen-3-ylmethyl)propan-1-amine?
The InChIKey is RAHCCCIEUJKJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3S/c1-11-14(12(2)16-15-11)5-4-7-17(3)9-13-6-8-18-10-13/h6,8,10H,4-5,7,9H2,1-3H3,(H,15,16).
What are the key properties of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-(thiophen-3-ylmethyl)propan-1-amine?
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-(thiophen-3-ylmethyl)propan-1-amine has a molecular weight of 263.41 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-(thiophen-3-ylmethyl)propan-1-amine is sourced from PubChem (CID 77094011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).