1-tert-butyl-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-5-propan-2-ylpyrazole-3-carboxamide

C23H34FN5O — CID 55851209

IUPAC1-tert-butyl-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-5-propan-2-ylpyrazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)NCCN2CCN(c3ccc(F)cc3)CC2)nn1C(C)(C)C
InChIInChI=1S/C23H34FN5O/c1-17(2)21-16-20(26-29(21)23(3,4)5)22(30)25-10-11-27-12-14-28(15-13-27)19-8-6-18(24)7-9-19/h6-9,16-17H,10-15H2,1-5H3,(H,25,30)
InChIKeyGNWSOYGFZORFHD-UHFFFAOYSA-N
MW415.56 g/mol
LogP3.45
Rot. Bonds6

About 1-tert-butyl-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-5-propan-2-ylpyrazole-3-carboxamide

1-tert-butyl-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-5-propan-2-ylpyrazole-3-carboxamide (PubChem CID 55851209) has the molecular formula C23H34FN5O and a molecular weight of 415.56 g/mol. Its IUPAC name is 1-tert-butyl-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-5-propan-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-5-propan-2-ylpyrazole-3-carboxamide
PubChem CID55851209
Molecular FormulaC23H34FN5O
Molecular Weight415.56 g/mol
Exact Mass415.27
IUPAC Name1-tert-butyl-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-5-propan-2-ylpyrazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)NCCN2CCN(c3ccc(F)cc3)CC2)nn1C(C)(C)C
InChIInChI=1S/C23H34FN5O/c1-17(2)21-16-20(26-29(21)23(3,4)5)22(30)25-10-11-27-12-14-28(15-13-27)19-8-6-18(24)7-9-19/h6-9,16-17H,10-15H2,1-5H3,(H,25,30)
InChIKeyGNWSOYGFZORFHD-UHFFFAOYSA-N
XLogP3.45
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.56
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-tert-butyl-5-propan-2-yl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyrazole-3-carboxamide
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N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2,6-dimethoxybenzamide
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N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-methyl-3-(methylamino)propanamide;trihydrochloride
CID 119902213
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-3-methylbenzamide
CID 42266695
2-amino-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzamide
CID 119947503
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-piperazin-1-ylethyl)propanamide
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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-5-propan-2-ylpyrazole-3-carboxamide?
The IUPAC name of 1-tert-butyl-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-5-propan-2-ylpyrazole-3-carboxamide (CID 55851209) is 1-tert-butyl-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-5-propan-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for 1-tert-butyl-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-5-propan-2-ylpyrazole-3-carboxamide?
The canonical SMILES for 1-tert-butyl-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-5-propan-2-ylpyrazole-3-carboxamide is CC(C)c1cc(C(=O)NCCN2CCN(c3ccc(F)cc3)CC2)nn1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-5-propan-2-ylpyrazole-3-carboxamide?
The InChIKey is GNWSOYGFZORFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34FN5O/c1-17(2)21-16-20(26-29(21)23(3,4)5)22(30)25-10-11-27-12-14-28(15-13-27)19-8-6-18(24)7-9-19/h6-9,16-17H,10-15H2,1-5H3,(H,25,30).
What are the key properties of 1-tert-butyl-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-5-propan-2-ylpyrazole-3-carboxamide?
1-tert-butyl-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-5-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 415.56 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-5-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 55851209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).