N-cyclopropyl-2-[4-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperazin-1-yl]acetamide

C23H25N5O2S — CID 17491792

IUPACN-cyclopropyl-2-[4-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2cccs2)CC1)NC1CC1
InChIInChI=1S/C23H25N5O2S/c29-21(24-17-8-9-17)16-26-10-12-27(13-11-26)23(30)19-15-28(18-5-2-1-3-6-18)25-22(19)20-7-4-14-31-20/h1-7,14-15,17H,8-13,16H2,(H,24,29)
InChIKeyLLJQSMRXIKTUCL-UHFFFAOYSA-N
MW435.55 g/mol
LogP2.64
Rot. Bonds6

About N-cyclopropyl-2-[4-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperazin-1-yl]acetamide

N-cyclopropyl-2-[4-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperazin-1-yl]acetamide (PubChem CID 17491792) has the molecular formula C23H25N5O2S and a molecular weight of 435.55 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperazin-1-yl]acetamide
PubChem CID17491792
Molecular FormulaC23H25N5O2S
Molecular Weight435.55 g/mol
Exact Mass435.17
IUPAC NameN-cyclopropyl-2-[4-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2cccs2)CC1)NC1CC1
InChIInChI=1S/C23H25N5O2S/c29-21(24-17-8-9-17)16-26-10-12-27(13-11-26)23(30)19-15-28(18-5-2-1-3-6-18)25-22(19)20-7-4-14-31-20/h1-7,14-15,17H,8-13,16H2,(H,24,29)
InChIKeyLLJQSMRXIKTUCL-UHFFFAOYSA-N
XLogP2.64
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-2-[4-[3-(2-methylphenyl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]acetamide
CID 17404093
N,N-dimethyl-2-[4-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperazin-1-yl]acetamide
CID 42115461
azetidin-1-yl-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone
CID 7677674
(4-aminopiperidin-1-yl)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone;hydrochloride
CID 119375478
(4-methyl-1,4-diazepan-1-yl)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone
CID 78769505
N-[1-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 46565675
[3-(methylamino)piperidin-1-yl]-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone;hydrochloride
CID 119491605
[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone
CID 55516612
N-cyclopropyl-2-[4-[2-(thiophene-2-carbonyl)benzoyl]piperazin-1-yl]acetamide
CID 51206929
(3S)-1-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperidine-3-carboxylic acid
CID 119113520
[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone
CID 134056723
4-[2-(cyclopropylamino)-2-oxoethyl]-N-[(1,3-diphenylpyrazol-4-yl)methyl]piperazine-1-carboxamide
CID 112832270

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperazin-1-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-[4-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperazin-1-yl]acetamide (CID 17491792) is N-cyclopropyl-2-[4-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[4-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[4-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperazin-1-yl]acetamide is O=C(CN1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2cccs2)CC1)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[4-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperazin-1-yl]acetamide?
The InChIKey is LLJQSMRXIKTUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2S/c29-21(24-17-8-9-17)16-26-10-12-27(13-11-26)23(30)19-15-28(18-5-2-1-3-6-18)25-22(19)20-7-4-14-31-20/h1-7,14-15,17H,8-13,16H2,(H,24,29).
What are the key properties of N-cyclopropyl-2-[4-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperazin-1-yl]acetamide?
N-cyclopropyl-2-[4-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperazin-1-yl]acetamide has a molecular weight of 435.55 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 17491792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).