1-piperidin-1-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propan-2-amine

C16H24N4S — CID 43791776

IUPAC1-piperidin-1-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propan-2-amine
SMILESCC(CN1CCCCC1)NCc1cn[nH]c1-c1cccs1
InChIInChI=1S/C16H24N4S/c1-13(12-20-7-3-2-4-8-20)17-10-14-11-18-19-16(14)15-6-5-9-21-15/h5-6,9,11,13,17H,2-4,7-8,10,12H2,1H3,(H,18,19)
InChIKeyVPGCLNVKMCGTDD-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.10
Rot. Bonds6

About 1-piperidin-1-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propan-2-amine

1-piperidin-1-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propan-2-amine (PubChem CID 43791776) has the molecular formula C16H24N4S and a molecular weight of 304.46 g/mol. Its IUPAC name is 1-piperidin-1-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-piperidin-1-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propan-2-amine
PubChem CID43791776
Molecular FormulaC16H24N4S
Molecular Weight304.46 g/mol
Exact Mass304.17
IUPAC Name1-piperidin-1-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propan-2-amine
SMILESCC(CN1CCCCC1)NCc1cn[nH]c1-c1cccs1
InChIInChI=1S/C16H24N4S/c1-13(12-20-7-3-2-4-8-20)17-10-14-11-18-19-16(14)15-6-5-9-21-15/h5-6,9,11,13,17H,2-4,7-8,10,12H2,1H3,(H,18,19)
InChIKeyVPGCLNVKMCGTDD-UHFFFAOYSA-N
XLogP3.10
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-piperidin-1-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-1-thiophen-2-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 43233315
(1R)-1-cyclohexyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]ethanamine
CID 81384549
1-thiophen-2-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]ethanamine
CID 43233218
2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]propanoic acid
CID 54959684
4-methyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperazin-1-amine
CID 83010094
N-methyl-2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]propanamide
CID 54950520
(2R)-N-cyclopentyl-2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]propanamide
CID 95205075
1-(4-methyl-1,2,4-triazol-3-yl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]ethanamine
CID 43783908
(2S,3R)-3-(4-methylpyrazol-1-yl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]butan-2-amine
CID 95288392
(1R)-1-(3-fluorophenyl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]ethanamine
CID 81368214
1-(1-ethylpyrrolidin-2-yl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine
CID 43233239
N-[(1-methylcyclopropyl)methyl]-1-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanamine
CID 103724288

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propan-2-amine?
The IUPAC name of 1-piperidin-1-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propan-2-amine (CID 43791776) is 1-piperidin-1-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propan-2-amine.
What is the SMILES notation for 1-piperidin-1-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propan-2-amine?
The canonical SMILES for 1-piperidin-1-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propan-2-amine is CC(CN1CCCCC1)NCc1cn[nH]c1-c1cccs1.
What is the InChIKey of 1-piperidin-1-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propan-2-amine?
The InChIKey is VPGCLNVKMCGTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4S/c1-13(12-20-7-3-2-4-8-20)17-10-14-11-18-19-16(14)15-6-5-9-21-15/h5-6,9,11,13,17H,2-4,7-8,10,12H2,1H3,(H,18,19).
What are the key properties of 1-piperidin-1-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propan-2-amine?
1-piperidin-1-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propan-2-amine has a molecular weight of 304.46 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propan-2-amine is sourced from PubChem (CID 43791776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).