2-methyl-N-[[5-[(5-methylpyrazol-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine

C14H21N3S — CID 107557859

IUPAC2-methyl-N-[[5-[(5-methylpyrazol-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine
SMILESCc1ccnn1Cc1ccc(CNCC(C)C)s1
InChIInChI=1S/C14H21N3S/c1-11(2)8-15-9-13-4-5-14(18-13)10-17-12(3)6-7-16-17/h4-7,11,15H,8-10H2,1-3H3
InChIKeyOZXNSJATIYCNHV-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.05
Rot. Bonds6

About 2-methyl-N-[[5-[(5-methylpyrazol-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine

2-methyl-N-[[5-[(5-methylpyrazol-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine (PubChem CID 107557859) has the molecular formula C14H21N3S and a molecular weight of 263.41 g/mol. Its IUPAC name is 2-methyl-N-[[5-[(5-methylpyrazol-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-[(5-methylpyrazol-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine
PubChem CID107557859
Molecular FormulaC14H21N3S
Molecular Weight263.41 g/mol
Exact Mass263.15
IUPAC Name2-methyl-N-[[5-[(5-methylpyrazol-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine
SMILESCc1ccnn1Cc1ccc(CNCC(C)C)s1
InChIInChI=1S/C14H21N3S/c1-11(2)8-15-9-13-4-5-14(18-13)10-17-12(3)6-7-16-17/h4-7,11,15H,8-10H2,1-3H3
InChIKeyOZXNSJATIYCNHV-UHFFFAOYSA-N
XLogP3.05
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 107557706
N-[[5-[(4,5-dimethylimidazol-1-yl)methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 107557823
2-methyl-N-[[5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)thiophen-2-yl]methyl]propan-1-amine
CID 107557099
N-[[5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)thiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 107557018
N-[[5-[(3-ethyl-4-methylpiperazin-1-yl)methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 107556838
N-[[5-[(3,3-dimethylpiperidin-1-yl)methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 107556953
N-[[1-[(5-ethylthiophen-2-yl)methyl]imidazol-2-yl]methyl]-2-methylpropan-1-amine
CID 66402303
2-methyl-N-[[5-[(4-methylazepan-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine
CID 107556853
N-methyl-N-[[5-[(2-methylpropylamino)methyl]thiophen-2-yl]methyl]butan-2-amine
CID 107555759
N-[[5-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 107556666
N-[[5-[(2-ethylazepan-1-yl)methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 107557439
2-methyl-N-[[5-(prop-2-enoxymethyl)thiophen-2-yl]methyl]propan-1-amine
CID 107557958

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-[(5-methylpyrazol-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[5-[(5-methylpyrazol-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine (CID 107557859) is 2-methyl-N-[[5-[(5-methylpyrazol-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[5-[(5-methylpyrazol-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[5-[(5-methylpyrazol-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine is Cc1ccnn1Cc1ccc(CNCC(C)C)s1.
What is the InChIKey of 2-methyl-N-[[5-[(5-methylpyrazol-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine?
The InChIKey is OZXNSJATIYCNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3S/c1-11(2)8-15-9-13-4-5-14(18-13)10-17-12(3)6-7-16-17/h4-7,11,15H,8-10H2,1-3H3.
What are the key properties of 2-methyl-N-[[5-[(5-methylpyrazol-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine?
2-methyl-N-[[5-[(5-methylpyrazol-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine has a molecular weight of 263.41 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-[(5-methylpyrazol-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 107557859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).