1-[2-[3-methyl-4-[[(3R)-3-methylpiperidin-1-yl]methyl]pyrazol-1-yl]ethyl]-4-prop-2-enylpiperazine

C20H35N5 — CID 95126139

IUPAC1-[2-[3-methyl-4-[[(3R)-3-methylpiperidin-1-yl]methyl]pyrazol-1-yl]ethyl]-4-prop-2-enylpiperazine
SMILESC=CCN1CCN(CCn2cc(CN3CCC[C@@H](C)C3)c(C)n2)CC1
InChIInChI=1S/C20H35N5/c1-4-7-22-9-11-23(12-10-22)13-14-25-17-20(19(3)21-25)16-24-8-5-6-18(2)15-24/h4,17-18H,1,5-16H2,2-3H3/t18-/m1/s1
InChIKeyMGOMUFJRZKUFIH-GOSISDBHSA-N
MW345.54 g/mol
LogP2.23
Rot. Bonds7

About 1-[2-[3-methyl-4-[[(3R)-3-methylpiperidin-1-yl]methyl]pyrazol-1-yl]ethyl]-4-prop-2-enylpiperazine

1-[2-[3-methyl-4-[[(3R)-3-methylpiperidin-1-yl]methyl]pyrazol-1-yl]ethyl]-4-prop-2-enylpiperazine (PubChem CID 95126139) has the molecular formula C20H35N5 and a molecular weight of 345.54 g/mol. Its IUPAC name is 1-[2-[3-methyl-4-[[(3R)-3-methylpiperidin-1-yl]methyl]pyrazol-1-yl]ethyl]-4-prop-2-enylpiperazine.

Molecular Properties

Compound Name1-[2-[3-methyl-4-[[(3R)-3-methylpiperidin-1-yl]methyl]pyrazol-1-yl]ethyl]-4-prop-2-enylpiperazine
PubChem CID95126139
Molecular FormulaC20H35N5
Molecular Weight345.54 g/mol
Exact Mass345.29
IUPAC Name1-[2-[3-methyl-4-[[(3R)-3-methylpiperidin-1-yl]methyl]pyrazol-1-yl]ethyl]-4-prop-2-enylpiperazine
SMILESC=CCN1CCN(CCn2cc(CN3CCC[C@@H](C)C3)c(C)n2)CC1
InChIInChI=1S/C20H35N5/c1-4-7-22-9-11-23(12-10-22)13-14-25-17-20(19(3)21-25)16-24-8-5-6-18(2)15-24/h4,17-18H,1,5-16H2,2-3H3/t18-/m1/s1
InChIKeyMGOMUFJRZKUFIH-GOSISDBHSA-N
XLogP2.23
TPSA27.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.54
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3R)-1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-3-ol
CID 95857207
1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-4-propan-2-ylpiperazine
CID 46994188
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
[(3S)-1-[2-[3-methyl-4-(morpholin-4-ylmethyl)pyrazol-1-yl]ethyl]piperidin-3-yl]methanol
CID 95144268
[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanol
CID 43817876
1-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-N-methylmethanamine
CID 83088539
N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-1-(1-prop-2-enylpyrrolidin-3-yl)methanamine
CID 46989875
1-methyl-4-[(3-methylpiperidin-1-yl)methyl]pyrazol-5-amine
CID 82171619
[(3R)-1-[(1-ethenyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanol
CID 95857205
[(3S)-1-[(1-ethenyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanol
CID 95857204
5-[1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 46987468
2-[3-methyl-4-[[3-(3-methylphenyl)piperidin-1-yl]methyl]pyrazol-1-yl]ethanol
CID 77089209

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-methyl-4-[[(3R)-3-methylpiperidin-1-yl]methyl]pyrazol-1-yl]ethyl]-4-prop-2-enylpiperazine?
The IUPAC name of 1-[2-[3-methyl-4-[[(3R)-3-methylpiperidin-1-yl]methyl]pyrazol-1-yl]ethyl]-4-prop-2-enylpiperazine (CID 95126139) is 1-[2-[3-methyl-4-[[(3R)-3-methylpiperidin-1-yl]methyl]pyrazol-1-yl]ethyl]-4-prop-2-enylpiperazine.
What is the SMILES notation for 1-[2-[3-methyl-4-[[(3R)-3-methylpiperidin-1-yl]methyl]pyrazol-1-yl]ethyl]-4-prop-2-enylpiperazine?
The canonical SMILES for 1-[2-[3-methyl-4-[[(3R)-3-methylpiperidin-1-yl]methyl]pyrazol-1-yl]ethyl]-4-prop-2-enylpiperazine is C=CCN1CCN(CCn2cc(CN3CCC[C@@H](C)C3)c(C)n2)CC1.
What is the InChIKey of 1-[2-[3-methyl-4-[[(3R)-3-methylpiperidin-1-yl]methyl]pyrazol-1-yl]ethyl]-4-prop-2-enylpiperazine?
The InChIKey is MGOMUFJRZKUFIH-GOSISDBHSA-N. The full InChI is InChI=1S/C20H35N5/c1-4-7-22-9-11-23(12-10-22)13-14-25-17-20(19(3)21-25)16-24-8-5-6-18(2)15-24/h4,17-18H,1,5-16H2,2-3H3/t18-/m1/s1.
What are the key properties of 1-[2-[3-methyl-4-[[(3R)-3-methylpiperidin-1-yl]methyl]pyrazol-1-yl]ethyl]-4-prop-2-enylpiperazine?
1-[2-[3-methyl-4-[[(3R)-3-methylpiperidin-1-yl]methyl]pyrazol-1-yl]ethyl]-4-prop-2-enylpiperazine has a molecular weight of 345.54 g/mol, XLogP of 2.23, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-methyl-4-[[(3R)-3-methylpiperidin-1-yl]methyl]pyrazol-1-yl]ethyl]-4-prop-2-enylpiperazine is sourced from PubChem (CID 95126139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).