1-(1-cyclopentylpyrazol-3-yl)-N-methyl-3-(thian-4-yl)propan-2-amine

C17H29N3S — CID 105157056

IUPAC1-(1-cyclopentylpyrazol-3-yl)-N-methyl-3-(thian-4-yl)propan-2-amine
SMILESCNC(Cc1ccn(C2CCCC2)n1)CC1CCSCC1
InChIInChI=1S/C17H29N3S/c1-18-16(12-14-7-10-21-11-8-14)13-15-6-9-20(19-15)17-4-2-3-5-17/h6,9,14,16-18H,2-5,7-8,10-13H2,1H3
InChIKeyHGWLISYLUBILOB-UHFFFAOYSA-N
MW307.51 g/mol
LogP3.66
Rot. Bonds6

About 1-(1-cyclopentylpyrazol-3-yl)-N-methyl-3-(thian-4-yl)propan-2-amine

1-(1-cyclopentylpyrazol-3-yl)-N-methyl-3-(thian-4-yl)propan-2-amine (PubChem CID 105157056) has the molecular formula C17H29N3S and a molecular weight of 307.51 g/mol. Its IUPAC name is 1-(1-cyclopentylpyrazol-3-yl)-N-methyl-3-(thian-4-yl)propan-2-amine.

Molecular Properties

Compound Name1-(1-cyclopentylpyrazol-3-yl)-N-methyl-3-(thian-4-yl)propan-2-amine
PubChem CID105157056
Molecular FormulaC17H29N3S
Molecular Weight307.51 g/mol
Exact Mass307.21
IUPAC Name1-(1-cyclopentylpyrazol-3-yl)-N-methyl-3-(thian-4-yl)propan-2-amine
SMILESCNC(Cc1ccn(C2CCCC2)n1)CC1CCSCC1
InChIInChI=1S/C17H29N3S/c1-18-16(12-14-7-10-21-11-8-14)13-15-6-9-20(19-15)17-4-2-3-5-17/h6,9,14,16-18H,2-5,7-8,10-13H2,1H3
InChIKeyHGWLISYLUBILOB-UHFFFAOYSA-N
XLogP3.66
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.51
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-cyclopentyl-3-(1-cyclopentylpyrazol-3-yl)propan-2-yl]hydrazine
CID 105314445
1-(1-cyclohexylpyrazol-3-yl)-3-(thian-4-yl)propan-2-ol
CID 105102348
1-(1-cyclopentylpyrazol-3-yl)-N,4-dimethylpentan-2-amine
CID 64784145
1-(1-cyclopentylpyrazol-3-yl)-N-methyl-3-thiophen-3-ylpropan-2-amine
CID 105157011
1-(1-cyclopentylpyrazol-3-yl)-4-ethoxy-N-methylbutan-2-amine
CID 105157055
4-(1-cyclohexylpyrazol-3-yl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine
CID 115346312
1-(1-cyclohexylpyrazol-3-yl)-5,5,5-trifluoro-N-methylpentan-2-amine
CID 79954390
1-(1-cyclopentylpyrazol-3-yl)-N-methyl-3-propylsulfanylpropan-2-amine
CID 65129377
1-butan-2-ylsulfanyl-3-(1-cyclopentylpyrazol-3-yl)-N-methylpropan-2-amine
CID 65136017
2-(1-cyclopentylpyrazol-3-yl)-N-ethyl-1-(thiolan-3-yl)ethanamine
CID 105157060
1-(1-cyclopentylpyrazol-3-yl)-N-ethylbutan-2-amine
CID 64779577
3-(1-cyclohexylpyrazol-3-yl)-1,1-difluoro-N-methylpropan-2-amine
CID 103516696

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopentylpyrazol-3-yl)-N-methyl-3-(thian-4-yl)propan-2-amine?
The IUPAC name of 1-(1-cyclopentylpyrazol-3-yl)-N-methyl-3-(thian-4-yl)propan-2-amine (CID 105157056) is 1-(1-cyclopentylpyrazol-3-yl)-N-methyl-3-(thian-4-yl)propan-2-amine.
What is the SMILES notation for 1-(1-cyclopentylpyrazol-3-yl)-N-methyl-3-(thian-4-yl)propan-2-amine?
The canonical SMILES for 1-(1-cyclopentylpyrazol-3-yl)-N-methyl-3-(thian-4-yl)propan-2-amine is CNC(Cc1ccn(C2CCCC2)n1)CC1CCSCC1.
What is the InChIKey of 1-(1-cyclopentylpyrazol-3-yl)-N-methyl-3-(thian-4-yl)propan-2-amine?
The InChIKey is HGWLISYLUBILOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3S/c1-18-16(12-14-7-10-21-11-8-14)13-15-6-9-20(19-15)17-4-2-3-5-17/h6,9,14,16-18H,2-5,7-8,10-13H2,1H3.
What are the key properties of 1-(1-cyclopentylpyrazol-3-yl)-N-methyl-3-(thian-4-yl)propan-2-amine?
1-(1-cyclopentylpyrazol-3-yl)-N-methyl-3-(thian-4-yl)propan-2-amine has a molecular weight of 307.51 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopentylpyrazol-3-yl)-N-methyl-3-(thian-4-yl)propan-2-amine is sourced from PubChem (CID 105157056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).