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

C16H24N4S — CID 43233297

IUPAC1-propan-2-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperidin-4-amine
SMILESCC(C)N1CCC(NCc2cn[nH]c2-c2cccs2)CC1
InChIInChI=1S/C16H24N4S/c1-12(2)20-7-5-14(6-8-20)17-10-13-11-18-19-16(13)15-4-3-9-21-15/h3-4,9,11-12,14,17H,5-8,10H2,1-2H3,(H,18,19)
InChIKeyDPEDLUIXPMZGRC-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.10
Rot. Bonds5

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

1-propan-2-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperidin-4-amine (PubChem CID 43233297) has the molecular formula C16H24N4S and a molecular weight of 304.46 g/mol. Its IUPAC name is 1-propan-2-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-propan-2-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperidin-4-amine
PubChem CID43233297
Molecular FormulaC16H24N4S
Molecular Weight304.46 g/mol
Exact Mass304.17
IUPAC Name1-propan-2-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperidin-4-amine
SMILESCC(C)N1CCC(NCc2cn[nH]c2-c2cccs2)CC1
InChIInChI=1S/C16H24N4S/c1-12(2)20-7-5-14(6-8-20)17-10-13-11-18-19-16(13)15-4-3-9-21-15/h3-4,9,11-12,14,17H,5-8,10H2,1-2H3,(H,18,19)
InChIKeyDPEDLUIXPMZGRC-UHFFFAOYSA-N
XLogP3.10
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperidin-4-amine?
The IUPAC name of 1-propan-2-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperidin-4-amine (CID 43233297) is 1-propan-2-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-propan-2-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperidin-4-amine?
The canonical SMILES for 1-propan-2-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperidin-4-amine is CC(C)N1CCC(NCc2cn[nH]c2-c2cccs2)CC1.
What is the InChIKey of 1-propan-2-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperidin-4-amine?
The InChIKey is DPEDLUIXPMZGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4S/c1-12(2)20-7-5-14(6-8-20)17-10-13-11-18-19-16(13)15-4-3-9-21-15/h3-4,9,11-12,14,17H,5-8,10H2,1-2H3,(H,18,19).
What are the key properties of 1-propan-2-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperidin-4-amine?
1-propan-2-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperidin-4-amine has a molecular weight of 304.46 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 43233297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).