N-[2-(1-methylpyrazol-4-yl)ethyl]-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide

C16H23N5OS — CID 51084810

IUPACN-[2-(1-methylpyrazol-4-yl)ethyl]-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
SMILESCn1cc(CCNC(=O)N2CCN(Cc3cccs3)CC2)cn1
InChIInChI=1S/C16H23N5OS/c1-19-12-14(11-18-19)4-5-17-16(22)21-8-6-20(7-9-21)13-15-3-2-10-23-15/h2-3,10-12H,4-9,13H2,1H3,(H,17,22)
InChIKeyBAVBZWSZOAXPMH-UHFFFAOYSA-N
MW333.46 g/mol
LogP1.55
Rot. Bonds5

About N-[2-(1-methylpyrazol-4-yl)ethyl]-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide

N-[2-(1-methylpyrazol-4-yl)ethyl]-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide (PubChem CID 51084810) has the molecular formula C16H23N5OS and a molecular weight of 333.46 g/mol. Its IUPAC name is N-[2-(1-methylpyrazol-4-yl)ethyl]-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(1-methylpyrazol-4-yl)ethyl]-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
PubChem CID51084810
Molecular FormulaC16H23N5OS
Molecular Weight333.46 g/mol
Exact Mass333.16
IUPAC NameN-[2-(1-methylpyrazol-4-yl)ethyl]-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
SMILESCn1cc(CCNC(=O)N2CCN(Cc3cccs3)CC2)cn1
InChIInChI=1S/C16H23N5OS/c1-19-12-14(11-18-19)4-5-17-16(22)21-8-6-20(7-9-21)13-15-3-2-10-23-15/h2-3,10-12H,4-9,13H2,1H3,(H,17,22)
InChIKeyBAVBZWSZOAXPMH-UHFFFAOYSA-N
XLogP1.55
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 ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1-methylpyrazol-4-yl)ethyl]-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 71892889
4-[(3,5-difluorophenyl)methyl]-N-[2-(1-methylpyrazol-4-yl)ethyl]piperazine-1-carboxamide
CID 119065539
N-[2-(3-fluorophenyl)ethyl]-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 35998814
N-(3-methoxypropyl)-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 17185583
(1-methylpyrazol-4-yl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 35383078
3-[4-(2-thiophen-2-ylethylcarbamoyl)piperazin-1-yl]propanoic acid
CID 61190024
(1-methylpyrazol-4-yl)-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]methanone
CID 56819060
4-N-methyl-1-N-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-1,4-dicarboxamide
CID 51084807
N-propan-2-yl-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 17185587
[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone;dihydrochloride
CID 120938125
1-[2-(1-methylpyrazol-4-yl)ethyl]-3-(1-thiophen-2-ylethyl)urea
CID 51083632
1-[2-(1-methylpyrazol-4-yl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111066876

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpyrazol-4-yl)ethyl]-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of N-[2-(1-methylpyrazol-4-yl)ethyl]-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide (CID 51084810) is N-[2-(1-methylpyrazol-4-yl)ethyl]-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[2-(1-methylpyrazol-4-yl)ethyl]-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for N-[2-(1-methylpyrazol-4-yl)ethyl]-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide is Cn1cc(CCNC(=O)N2CCN(Cc3cccs3)CC2)cn1.
What is the InChIKey of N-[2-(1-methylpyrazol-4-yl)ethyl]-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide?
The InChIKey is BAVBZWSZOAXPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5OS/c1-19-12-14(11-18-19)4-5-17-16(22)21-8-6-20(7-9-21)13-15-3-2-10-23-15/h2-3,10-12H,4-9,13H2,1H3,(H,17,22).
What are the key properties of N-[2-(1-methylpyrazol-4-yl)ethyl]-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide?
N-[2-(1-methylpyrazol-4-yl)ethyl]-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide has a molecular weight of 333.46 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylpyrazol-4-yl)ethyl]-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 51084810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).