1-(1,5-dimethylpyrazol-4-yl)-3-thiophen-2-ylpropan-1-amine

C12H17N3S — CID 105150310

IUPAC1-(1,5-dimethylpyrazol-4-yl)-3-thiophen-2-ylpropan-1-amine
SMILESCc1c(C(N)CCc2cccs2)cnn1C
InChIInChI=1S/C12H17N3S/c1-9-11(8-14-15(9)2)12(13)6-5-10-4-3-7-16-10/h3-4,7-8,12H,5-6,13H2,1-2H3
InChIKeyOXTNNVMUFBDANA-UHFFFAOYSA-N
MW235.36 g/mol
LogP2.42
Rot. Bonds4

About 1-(1,5-dimethylpyrazol-4-yl)-3-thiophen-2-ylpropan-1-amine

1-(1,5-dimethylpyrazol-4-yl)-3-thiophen-2-ylpropan-1-amine (PubChem CID 105150310) has the molecular formula C12H17N3S and a molecular weight of 235.36 g/mol. Its IUPAC name is 1-(1,5-dimethylpyrazol-4-yl)-3-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound Name1-(1,5-dimethylpyrazol-4-yl)-3-thiophen-2-ylpropan-1-amine
PubChem CID105150310
Molecular FormulaC12H17N3S
Molecular Weight235.36 g/mol
Exact Mass235.11
IUPAC Name1-(1,5-dimethylpyrazol-4-yl)-3-thiophen-2-ylpropan-1-amine
SMILESCc1c(C(N)CCc2cccs2)cnn1C
InChIInChI=1S/C12H17N3S/c1-9-11(8-14-15(9)2)12(13)6-5-10-4-3-7-16-10/h3-4,7-8,12H,5-6,13H2,1-2H3
InChIKeyOXTNNVMUFBDANA-UHFFFAOYSA-N
XLogP2.42
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.36
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-pyrazolo[1,5-a]pyrazin-3-yl-3-thiophen-2-ylpropan-1-amine
CID 103127230
1-(2-fluoro-5-methylphenyl)-3-thiophen-2-ylpropan-1-amine
CID 115860775
1-(5-methylthiophen-2-yl)-3-thiophen-2-ylpropan-1-amine
CID 115861149
1-(2-phenyltriazol-4-yl)-3-thiophen-2-ylpropan-1-amine
CID 105150214
1-(3-methylphenyl)-3-thiophen-2-ylpropan-1-amine
CID 63774801
1-(1-phenylpyrazol-4-yl)-3-thiophen-2-ylpropan-1-amine
CID 105150213
1-(4-methyl-2-pyridinyl)-3-thiophen-2-ylpropan-1-amine
CID 63840233
2-(1,5-dimethylpyrazol-4-yl)-N-(thiophen-2-ylmethyl)ethanamine
CID 115702961
1-quinoxalin-5-yl-3-thiophen-2-ylpropan-1-amine
CID 105150148
1-(1,5-dimethylpyrazol-4-yl)but-3-en-1-amine
CID 105108352
(3S)-3-amino-3-(1,5-dimethylpyrazol-4-yl)propanoic acid
CID 79583983
1-(2,4-dimethoxyphenyl)-3-thiophen-2-ylpropan-1-amine
CID 115861031

Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)-3-thiophen-2-ylpropan-1-amine?
The IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)-3-thiophen-2-ylpropan-1-amine (CID 105150310) is 1-(1,5-dimethylpyrazol-4-yl)-3-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for 1-(1,5-dimethylpyrazol-4-yl)-3-thiophen-2-ylpropan-1-amine?
The canonical SMILES for 1-(1,5-dimethylpyrazol-4-yl)-3-thiophen-2-ylpropan-1-amine is Cc1c(C(N)CCc2cccs2)cnn1C.
What is the InChIKey of 1-(1,5-dimethylpyrazol-4-yl)-3-thiophen-2-ylpropan-1-amine?
The InChIKey is OXTNNVMUFBDANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S/c1-9-11(8-14-15(9)2)12(13)6-5-10-4-3-7-16-10/h3-4,7-8,12H,5-6,13H2,1-2H3.
What are the key properties of 1-(1,5-dimethylpyrazol-4-yl)-3-thiophen-2-ylpropan-1-amine?
1-(1,5-dimethylpyrazol-4-yl)-3-thiophen-2-ylpropan-1-amine has a molecular weight of 235.36 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dimethylpyrazol-4-yl)-3-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 105150310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).