N-methyl-1-(1-propan-2-ylpyrazol-3-yl)-3-thiophen-3-ylpropan-2-amine

C14H21N3S — CID 105154784

IUPACN-methyl-1-(1-propan-2-ylpyrazol-3-yl)-3-thiophen-3-ylpropan-2-amine
SMILESCNC(Cc1ccsc1)Cc1ccn(C(C)C)n1
InChIInChI=1S/C14H21N3S/c1-11(2)17-6-4-13(16-17)9-14(15-3)8-12-5-7-18-10-12/h4-7,10-11,14-15H,8-9H2,1-3H3
InChIKeyRQBYJKGHJRZJQZ-UHFFFAOYSA-N
MW263.41 g/mol
LogP2.90
Rot. Bonds6

About N-methyl-1-(1-propan-2-ylpyrazol-3-yl)-3-thiophen-3-ylpropan-2-amine

N-methyl-1-(1-propan-2-ylpyrazol-3-yl)-3-thiophen-3-ylpropan-2-amine (PubChem CID 105154784) has the molecular formula C14H21N3S and a molecular weight of 263.41 g/mol. Its IUPAC name is N-methyl-1-(1-propan-2-ylpyrazol-3-yl)-3-thiophen-3-ylpropan-2-amine.

Molecular Properties

Compound NameN-methyl-1-(1-propan-2-ylpyrazol-3-yl)-3-thiophen-3-ylpropan-2-amine
PubChem CID105154784
Molecular FormulaC14H21N3S
Molecular Weight263.41 g/mol
Exact Mass263.15
IUPAC NameN-methyl-1-(1-propan-2-ylpyrazol-3-yl)-3-thiophen-3-ylpropan-2-amine
SMILESCNC(Cc1ccsc1)Cc1ccn(C(C)C)n1
InChIInChI=1S/C14H21N3S/c1-11(2)17-6-4-13(16-17)9-14(15-3)8-12-5-7-18-10-12/h4-7,10-11,14-15H,8-9H2,1-3H3
InChIKeyRQBYJKGHJRZJQZ-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-propan-2-ylpyrazol-3-yl)-3-thiophen-3-ylpropan-2-amine
CID 105154877
1-(1-cyclopentylpyrazol-3-yl)-N-methyl-3-thiophen-3-ylpropan-2-amine
CID 105157011
1-(3,4-dimethylphenyl)-N-methyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine
CID 64771393
N-methyl-1-pyridin-2-yl-3-thiophen-3-ylpropan-2-amine
CID 62601722
1-(3-methoxyphenyl)-N-methyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine
CID 64770857
N-methyl-1-propan-2-ylsulfanyl-3-thiophen-3-ylpropan-2-amine
CID 65132227
N-methyl-1-methylsulfanyl-3-thiophen-3-ylpropan-2-amine
CID 62694241
N-methyl-1-(1-propan-2-ylpyrazol-3-yl)-4-pyridin-3-ylbutan-2-amine
CID 105154860
1-(2,6-dichlorophenyl)-N-methyl-3-thiophen-3-ylpropan-2-amine
CID 62604150
[1-(1-cyclopentylpyrazol-3-yl)-3-thiophen-3-ylpropan-2-yl]hydrazine
CID 105314456
4-(furan-2-yl)-N-methyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine
CID 105154857
1-(3-chlorophenyl)-N-methyl-3-thiophen-3-ylpropan-2-amine
CID 55095443

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-propan-2-ylpyrazol-3-yl)-3-thiophen-3-ylpropan-2-amine?
The IUPAC name of N-methyl-1-(1-propan-2-ylpyrazol-3-yl)-3-thiophen-3-ylpropan-2-amine (CID 105154784) is N-methyl-1-(1-propan-2-ylpyrazol-3-yl)-3-thiophen-3-ylpropan-2-amine.
What is the SMILES notation for N-methyl-1-(1-propan-2-ylpyrazol-3-yl)-3-thiophen-3-ylpropan-2-amine?
The canonical SMILES for N-methyl-1-(1-propan-2-ylpyrazol-3-yl)-3-thiophen-3-ylpropan-2-amine is CNC(Cc1ccsc1)Cc1ccn(C(C)C)n1.
What is the InChIKey of N-methyl-1-(1-propan-2-ylpyrazol-3-yl)-3-thiophen-3-ylpropan-2-amine?
The InChIKey is RQBYJKGHJRZJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3S/c1-11(2)17-6-4-13(16-17)9-14(15-3)8-12-5-7-18-10-12/h4-7,10-11,14-15H,8-9H2,1-3H3.
What are the key properties of N-methyl-1-(1-propan-2-ylpyrazol-3-yl)-3-thiophen-3-ylpropan-2-amine?
N-methyl-1-(1-propan-2-ylpyrazol-3-yl)-3-thiophen-3-ylpropan-2-amine has a molecular weight of 263.41 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-propan-2-ylpyrazol-3-yl)-3-thiophen-3-ylpropan-2-amine is sourced from PubChem (CID 105154784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).