1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-4-(3-methyl-2-pyridinyl)piperazine

C18H25N5 — CID 56714731

IUPAC1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-4-(3-methyl-2-pyridinyl)piperazine
SMILESC=CCn1cc(CN2CCN(c3ncccc3C)CC2)c(C)n1
InChIInChI=1S/C18H25N5/c1-4-8-23-14-17(16(3)20-23)13-21-9-11-22(12-10-21)18-15(2)6-5-7-19-18/h4-7,14H,1,8-13H2,2-3H3
InChIKeyBEOGUJIMOMKERT-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.40
Rot. Bonds5

About 1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-4-(3-methyl-2-pyridinyl)piperazine

1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-4-(3-methyl-2-pyridinyl)piperazine (PubChem CID 56714731) has the molecular formula C18H25N5 and a molecular weight of 311.43 g/mol. Its IUPAC name is 1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-4-(3-methyl-2-pyridinyl)piperazine.

Molecular Properties

Compound Name1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-4-(3-methyl-2-pyridinyl)piperazine
PubChem CID56714731
Molecular FormulaC18H25N5
Molecular Weight311.43 g/mol
Exact Mass311.21
IUPAC Name1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-4-(3-methyl-2-pyridinyl)piperazine
SMILESC=CCn1cc(CN2CCN(c3ncccc3C)CC2)c(C)n1
InChIInChI=1S/C18H25N5/c1-4-8-23-14-17(16(3)20-23)13-21-9-11-22(12-10-21)18-15(2)6-5-7-19-18/h4-7,14H,1,8-13H2,2-3H3
InChIKeyBEOGUJIMOMKERT-UHFFFAOYSA-N
XLogP2.40
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.40
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

1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-4-propan-2-ylpiperazine
CID 46994188
1-benzyl-4-(3-methyl-2-pyridinyl)piperazine
CID 130558033
1-(3-methyl-2-pyridinyl)-4-[(1-propan-2-ylpyrrol-3-yl)methyl]piperazine
CID 56865842
(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
2-methyl-4-[4-[[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methyl]phenyl]butan-2-ol
CID 70746652
(3S)-8-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 126449511
1-methyl-4-(3-methyl-2-pyridinyl)piperazine
CID 46739573
N-[[4-[3-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]phenyl]methyl]methanesulfonamide;hydrochloride
CID 68593659
4-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]butan-1-amine
CID 62254406
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-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-methoxyphenyl)pyrazine;hydrochloride
CID 162331647

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-4-(3-methyl-2-pyridinyl)piperazine?
The IUPAC name of 1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-4-(3-methyl-2-pyridinyl)piperazine (CID 56714731) is 1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-4-(3-methyl-2-pyridinyl)piperazine.
What is the SMILES notation for 1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-4-(3-methyl-2-pyridinyl)piperazine?
The canonical SMILES for 1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-4-(3-methyl-2-pyridinyl)piperazine is C=CCn1cc(CN2CCN(c3ncccc3C)CC2)c(C)n1.
What is the InChIKey of 1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-4-(3-methyl-2-pyridinyl)piperazine?
The InChIKey is BEOGUJIMOMKERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5/c1-4-8-23-14-17(16(3)20-23)13-21-9-11-22(12-10-21)18-15(2)6-5-7-19-18/h4-7,14H,1,8-13H2,2-3H3.
What are the key properties of 1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-4-(3-methyl-2-pyridinyl)piperazine?
1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-4-(3-methyl-2-pyridinyl)piperazine has a molecular weight of 311.43 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-4-(3-methyl-2-pyridinyl)piperazine is sourced from PubChem (CID 56714731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).