N-(1-pyrazol-1-ylpropan-2-yl)-4-(thiophen-3-ylmethyl)piperazine-1-carboxamide

C16H23N5OS — CID 53499696

IUPACN-(1-pyrazol-1-ylpropan-2-yl)-4-(thiophen-3-ylmethyl)piperazine-1-carboxamide
SMILESCC(Cn1cccn1)NC(=O)N1CCN(Cc2ccsc2)CC1
InChIInChI=1S/C16H23N5OS/c1-14(11-21-5-2-4-17-21)18-16(22)20-8-6-19(7-9-20)12-15-3-10-23-13-15/h2-5,10,13-14H,6-9,11-12H2,1H3,(H,18,22)
InChIKeyABOUEUPRJQNGEI-UHFFFAOYSA-N
MW333.46 g/mol
LogP1.86
Rot. Bonds5

About N-(1-pyrazol-1-ylpropan-2-yl)-4-(thiophen-3-ylmethyl)piperazine-1-carboxamide

N-(1-pyrazol-1-ylpropan-2-yl)-4-(thiophen-3-ylmethyl)piperazine-1-carboxamide (PubChem CID 53499696) has the molecular formula C16H23N5OS and a molecular weight of 333.46 g/mol. Its IUPAC name is N-(1-pyrazol-1-ylpropan-2-yl)-4-(thiophen-3-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(1-pyrazol-1-ylpropan-2-yl)-4-(thiophen-3-ylmethyl)piperazine-1-carboxamide
PubChem CID53499696
Molecular FormulaC16H23N5OS
Molecular Weight333.46 g/mol
Exact Mass333.16
IUPAC NameN-(1-pyrazol-1-ylpropan-2-yl)-4-(thiophen-3-ylmethyl)piperazine-1-carboxamide
SMILESCC(Cn1cccn1)NC(=O)N1CCN(Cc2ccsc2)CC1
InChIInChI=1S/C16H23N5OS/c1-14(11-21-5-2-4-17-21)18-16(22)20-8-6-19(7-9-20)12-15-3-10-23-13-15/h2-5,10,13-14H,6-9,11-12H2,1H3,(H,18,22)
InChIKeyABOUEUPRJQNGEI-UHFFFAOYSA-N
XLogP1.86
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-pyrazol-1-ylpropan-2-yl)-4-(thiophen-3-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of N-(1-pyrazol-1-ylpropan-2-yl)-4-(thiophen-3-ylmethyl)piperazine-1-carboxamide (CID 53499696) is N-(1-pyrazol-1-ylpropan-2-yl)-4-(thiophen-3-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(1-pyrazol-1-ylpropan-2-yl)-4-(thiophen-3-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for N-(1-pyrazol-1-ylpropan-2-yl)-4-(thiophen-3-ylmethyl)piperazine-1-carboxamide is CC(Cn1cccn1)NC(=O)N1CCN(Cc2ccsc2)CC1.
What is the InChIKey of N-(1-pyrazol-1-ylpropan-2-yl)-4-(thiophen-3-ylmethyl)piperazine-1-carboxamide?
The InChIKey is ABOUEUPRJQNGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5OS/c1-14(11-21-5-2-4-17-21)18-16(22)20-8-6-19(7-9-20)12-15-3-10-23-13-15/h2-5,10,13-14H,6-9,11-12H2,1H3,(H,18,22).
What are the key properties of N-(1-pyrazol-1-ylpropan-2-yl)-4-(thiophen-3-ylmethyl)piperazine-1-carboxamide?
N-(1-pyrazol-1-ylpropan-2-yl)-4-(thiophen-3-ylmethyl)piperazine-1-carboxamide has a molecular weight of 333.46 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyrazol-1-ylpropan-2-yl)-4-(thiophen-3-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 53499696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).