1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-[[1-(4-methylphenyl)cyclopropyl]methyl]piperazine

C23H34N4 — CID 92589587

IUPAC1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-[[1-(4-methylphenyl)cyclopropyl]methyl]piperazine
SMILESCCn1nc(C)c(CN2CCN(CC3(c4ccc(C)cc4)CC3)CC2)c1C
InChIInChI=1S/C23H34N4/c1-5-27-20(4)22(19(3)24-27)16-25-12-14-26(15-13-25)17-23(10-11-23)21-8-6-18(2)7-9-21/h6-9H,5,10-17H2,1-4H3
InChIKeyNGUFSUGBISFULF-UHFFFAOYSA-N
MW366.55 g/mol
LogP3.68
Rot. Bonds6

About 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-[[1-(4-methylphenyl)cyclopropyl]methyl]piperazine

1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-[[1-(4-methylphenyl)cyclopropyl]methyl]piperazine (PubChem CID 92589587) has the molecular formula C23H34N4 and a molecular weight of 366.55 g/mol. Its IUPAC name is 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-[[1-(4-methylphenyl)cyclopropyl]methyl]piperazine.

Molecular Properties

Compound Name1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-[[1-(4-methylphenyl)cyclopropyl]methyl]piperazine
PubChem CID92589587
Molecular FormulaC23H34N4
Molecular Weight366.55 g/mol
Exact Mass366.28
IUPAC Name1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-[[1-(4-methylphenyl)cyclopropyl]methyl]piperazine
SMILESCCn1nc(C)c(CN2CCN(CC3(c4ccc(C)cc4)CC3)CC2)c1C
InChIInChI=1S/C23H34N4/c1-5-27-20(4)22(19(3)24-27)16-25-12-14-26(15-13-25)17-23(10-11-23)21-8-6-18(2)7-9-21/h6-9H,5,10-17H2,1-4H3
InChIKeyNGUFSUGBISFULF-UHFFFAOYSA-N
XLogP3.68
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.55
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-[[1-(4-methylphenyl)cyclopropyl]methyl]piperazine?
The IUPAC name of 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-[[1-(4-methylphenyl)cyclopropyl]methyl]piperazine (CID 92589587) is 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-[[1-(4-methylphenyl)cyclopropyl]methyl]piperazine.
What is the SMILES notation for 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-[[1-(4-methylphenyl)cyclopropyl]methyl]piperazine?
The canonical SMILES for 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-[[1-(4-methylphenyl)cyclopropyl]methyl]piperazine is CCn1nc(C)c(CN2CCN(CC3(c4ccc(C)cc4)CC3)CC2)c1C.
What is the InChIKey of 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-[[1-(4-methylphenyl)cyclopropyl]methyl]piperazine?
The InChIKey is NGUFSUGBISFULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4/c1-5-27-20(4)22(19(3)24-27)16-25-12-14-26(15-13-25)17-23(10-11-23)21-8-6-18(2)7-9-21/h6-9H,5,10-17H2,1-4H3.
What are the key properties of 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-[[1-(4-methylphenyl)cyclopropyl]methyl]piperazine?
1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-[[1-(4-methylphenyl)cyclopropyl]methyl]piperazine has a molecular weight of 366.55 g/mol, XLogP of 3.68, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-[[1-(4-methylphenyl)cyclopropyl]methyl]piperazine is sourced from PubChem (CID 92589587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).