1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-4-propan-2-ylpiperazine

C15H26N4 — CID 46994188

IUPAC1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-4-propan-2-ylpiperazine
SMILESC=CCn1cc(CN2CCN(C(C)C)CC2)c(C)n1
InChIInChI=1S/C15H26N4/c1-5-6-19-12-15(14(4)16-19)11-17-7-9-18(10-8-17)13(2)3/h5,12-13H,1,6-11H2,2-4H3
InChIKeyIMAVNCFFIKFVMK-UHFFFAOYSA-N
MW262.40 g/mol
LogP1.90
Rot. Bonds5

About 1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-4-propan-2-ylpiperazine

1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-4-propan-2-ylpiperazine (PubChem CID 46994188) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-4-propan-2-ylpiperazine
PubChem CID46994188
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-4-propan-2-ylpiperazine
SMILESC=CCn1cc(CN2CCN(C(C)C)CC2)c(C)n1
InChIInChI=1S/C15H26N4/c1-5-6-19-12-15(14(4)16-19)11-17-7-9-18(10-8-17)13(2)3/h5,12-13H,1,6-11H2,2-4H3
InChIKeyIMAVNCFFIKFVMK-UHFFFAOYSA-N
XLogP1.90
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-4-(3-methyl-2-pyridinyl)piperazine
CID 56714731
(3R)-1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-3-ol
CID 95857207
1-[1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-4-yl]-3H-indol-2-one
CID 46986092
1-[2-[3-methyl-4-[[(3R)-3-methylpiperidin-1-yl]methyl]pyrazol-1-yl]ethyl]-4-prop-2-enylpiperazine
CID 95126139
2-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]propanoic acid
CID 83094609
(3S)-8-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 126449511
3-[1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-4-yl]-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine 1,1-dioxide
CID 110220210
3-methyl-1-prop-2-enylpyrazol-4-ol
CID 70565491
N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-1-(1-prop-2-enylpyrrolidin-3-yl)methanamine
CID 46989875
2-methyl-5-[(3R)-1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 95800811
1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperazine
CID 82509495
N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 46988170

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-4-propan-2-ylpiperazine?
The IUPAC name of 1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-4-propan-2-ylpiperazine (CID 46994188) is 1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-4-propan-2-ylpiperazine?
The canonical SMILES for 1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-4-propan-2-ylpiperazine is C=CCn1cc(CN2CCN(C(C)C)CC2)c(C)n1.
What is the InChIKey of 1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-4-propan-2-ylpiperazine?
The InChIKey is IMAVNCFFIKFVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-5-6-19-12-15(14(4)16-19)11-17-7-9-18(10-8-17)13(2)3/h5,12-13H,1,6-11H2,2-4H3.
What are the key properties of 1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-4-propan-2-ylpiperazine?
1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-4-propan-2-ylpiperazine has a molecular weight of 262.40 g/mol, XLogP of 1.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-4-propan-2-ylpiperazine is sourced from PubChem (CID 46994188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).