N-(2-propan-2-ylpyrazol-3-yl)-4-[(1R)-1-thiophen-3-ylethyl]piperazine-1-carboxamide

C17H25N5OS — CID 97308401

IUPACN-(2-propan-2-ylpyrazol-3-yl)-4-[(1R)-1-thiophen-3-ylethyl]piperazine-1-carboxamide
SMILESCC(C)n1nccc1NC(=O)N1CCN([C@H](C)c2ccsc2)CC1
InChIInChI=1S/C17H25N5OS/c1-13(2)22-16(4-6-18-22)19-17(23)21-9-7-20(8-10-21)14(3)15-5-11-24-12-15/h4-6,11-14H,7-10H2,1-3H3,(H,19,23)/t14-/m1/s1
InChIKeyVOYRLBCTQIAZQB-CQSZACIVSA-N
MW347.49 g/mol
LogP3.44
Rot. Bonds4

About N-(2-propan-2-ylpyrazol-3-yl)-4-[(1R)-1-thiophen-3-ylethyl]piperazine-1-carboxamide

N-(2-propan-2-ylpyrazol-3-yl)-4-[(1R)-1-thiophen-3-ylethyl]piperazine-1-carboxamide (PubChem CID 97308401) has the molecular formula C17H25N5OS and a molecular weight of 347.49 g/mol. Its IUPAC name is N-(2-propan-2-ylpyrazol-3-yl)-4-[(1R)-1-thiophen-3-ylethyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-propan-2-ylpyrazol-3-yl)-4-[(1R)-1-thiophen-3-ylethyl]piperazine-1-carboxamide
PubChem CID97308401
Molecular FormulaC17H25N5OS
Molecular Weight347.49 g/mol
Exact Mass347.18
IUPAC NameN-(2-propan-2-ylpyrazol-3-yl)-4-[(1R)-1-thiophen-3-ylethyl]piperazine-1-carboxamide
SMILESCC(C)n1nccc1NC(=O)N1CCN([C@H](C)c2ccsc2)CC1
InChIInChI=1S/C17H25N5OS/c1-13(2)22-16(4-6-18-22)19-17(23)21-9-7-20(8-10-21)14(3)15-5-11-24-12-15/h4-6,11-14H,7-10H2,1-3H3,(H,19,23)/t14-/m1/s1
InChIKeyVOYRLBCTQIAZQB-CQSZACIVSA-N
XLogP3.44
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.49
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-propan-2-ylpyrazol-3-yl)-4-[(1R)-1-thiophen-3-ylethyl]piperazine-1-carboxamide 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

N-(1,2-oxazol-3-yl)-4-(1-thiophen-3-ylethyl)piperazine-1-carboxamide
CID 131960827
N-(2-propan-2-ylpyrazol-3-yl)morpholine-4-carboxamide
CID 47198657
N-cyclopent-3-en-1-yl-4-[(1R)-1-thiophen-3-ylethyl]piperazine-1-carboxamide
CID 97308581
N-(2-propan-2-ylpyrazol-3-yl)-2-thiophen-3-ylacetamide
CID 30183297
(2S)-3-methoxy-2-methyl-1-[4-[(1R)-1-thiophen-3-ylethyl]piperazin-1-yl]propan-1-one
CID 99625769
(5-propan-2-yl-1,2-oxazol-3-yl)-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]methanone
CID 75508127
cyclopent-3-en-1-yl-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]methanone
CID 86793524
4-(1,3-benzothiazol-2-yl)-N-(2-propan-2-ylpyrazol-3-yl)piperazine-1-carboxamide
CID 72912494
oxan-3-yl-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]methanone
CID 91660630
2-(4-hydroxyphenyl)-1-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]ethanone
CID 86793513
N-(2-propan-2-ylpyrazol-3-yl)-3-thiophen-3-ylpropanamide
CID 47110779
(3-ethyl-4-pyridinyl)-[4-[(1R)-1-thiophen-3-ylethyl]piperazin-1-yl]methanone
CID 99627550

Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-ylpyrazol-3-yl)-4-[(1R)-1-thiophen-3-ylethyl]piperazine-1-carboxamide?
The IUPAC name of N-(2-propan-2-ylpyrazol-3-yl)-4-[(1R)-1-thiophen-3-ylethyl]piperazine-1-carboxamide (CID 97308401) is N-(2-propan-2-ylpyrazol-3-yl)-4-[(1R)-1-thiophen-3-ylethyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(2-propan-2-ylpyrazol-3-yl)-4-[(1R)-1-thiophen-3-ylethyl]piperazine-1-carboxamide?
The canonical SMILES for N-(2-propan-2-ylpyrazol-3-yl)-4-[(1R)-1-thiophen-3-ylethyl]piperazine-1-carboxamide is CC(C)n1nccc1NC(=O)N1CCN([C@H](C)c2ccsc2)CC1.
What is the InChIKey of N-(2-propan-2-ylpyrazol-3-yl)-4-[(1R)-1-thiophen-3-ylethyl]piperazine-1-carboxamide?
The InChIKey is VOYRLBCTQIAZQB-CQSZACIVSA-N. The full InChI is InChI=1S/C17H25N5OS/c1-13(2)22-16(4-6-18-22)19-17(23)21-9-7-20(8-10-21)14(3)15-5-11-24-12-15/h4-6,11-14H,7-10H2,1-3H3,(H,19,23)/t14-/m1/s1.
What are the key properties of N-(2-propan-2-ylpyrazol-3-yl)-4-[(1R)-1-thiophen-3-ylethyl]piperazine-1-carboxamide?
N-(2-propan-2-ylpyrazol-3-yl)-4-[(1R)-1-thiophen-3-ylethyl]piperazine-1-carboxamide has a molecular weight of 347.49 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-ylpyrazol-3-yl)-4-[(1R)-1-thiophen-3-ylethyl]piperazine-1-carboxamide is sourced from PubChem (CID 97308401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).