1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-4-methyl-4-prop-1-en-2-ylpiperidine

C20H26ClN3 — CID 142170476

IUPAC1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-4-methyl-4-prop-1-en-2-ylpiperidine
SMILESC=C(C)C1(C)CCN(Cc2c(C)nn(-c3ccccc3)c2Cl)CC1
InChIInChI=1S/C20H26ClN3/c1-15(2)20(4)10-12-23(13-11-20)14-18-16(3)22-24(19(18)21)17-8-6-5-7-9-17/h5-9H,1,10-14H2,2-4H3
InChIKeyAKMZDOIUXIFKSV-UHFFFAOYSA-N
MW343.90 g/mol
LogP5.01
Rot. Bonds4

About 1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-4-methyl-4-prop-1-en-2-ylpiperidine

1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-4-methyl-4-prop-1-en-2-ylpiperidine (PubChem CID 142170476) has the molecular formula C20H26ClN3 and a molecular weight of 343.90 g/mol. Its IUPAC name is 1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-4-methyl-4-prop-1-en-2-ylpiperidine.

Molecular Properties

Compound Name1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-4-methyl-4-prop-1-en-2-ylpiperidine
PubChem CID142170476
Molecular FormulaC20H26ClN3
Molecular Weight343.90 g/mol
Exact Mass343.18
IUPAC Name1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-4-methyl-4-prop-1-en-2-ylpiperidine
SMILESC=C(C)C1(C)CCN(Cc2c(C)nn(-c3ccccc3)c2Cl)CC1
InChIInChI=1S/C20H26ClN3/c1-15(2)20(4)10-12-23(13-11-20)14-18-16(3)22-24(19(18)21)17-8-6-5-7-9-17/h5-9H,1,10-14H2,2-4H3
InChIKeyAKMZDOIUXIFKSV-UHFFFAOYSA-N
XLogP5.01
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.90
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-N,N-diethylpiperidine-4-carboxamide
CID 86870595
1-[4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]ethanone
CID 19331795
2-[4-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 35877991
2-[1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]-1,3-benzoxazole
CID 55410754
2-[4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]ethanol
CID 110880028
3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)propan-1-ol
CID 170887531
[(2R)-1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methanol
CID 110909353
3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)propanoic acid
CID 23005590
6-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 24909732
N-(4-benzylpiperazin-1-yl)-1-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methanimine
CID 2322272
6-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24909725
3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 78815185

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-4-methyl-4-prop-1-en-2-ylpiperidine?
The IUPAC name of 1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-4-methyl-4-prop-1-en-2-ylpiperidine (CID 142170476) is 1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-4-methyl-4-prop-1-en-2-ylpiperidine.
What is the SMILES notation for 1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-4-methyl-4-prop-1-en-2-ylpiperidine?
The canonical SMILES for 1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-4-methyl-4-prop-1-en-2-ylpiperidine is C=C(C)C1(C)CCN(Cc2c(C)nn(-c3ccccc3)c2Cl)CC1.
What is the InChIKey of 1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-4-methyl-4-prop-1-en-2-ylpiperidine?
The InChIKey is AKMZDOIUXIFKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN3/c1-15(2)20(4)10-12-23(13-11-20)14-18-16(3)22-24(19(18)21)17-8-6-5-7-9-17/h5-9H,1,10-14H2,2-4H3.
What are the key properties of 1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-4-methyl-4-prop-1-en-2-ylpiperidine?
1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-4-methyl-4-prop-1-en-2-ylpiperidine has a molecular weight of 343.90 g/mol, XLogP of 5.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-4-methyl-4-prop-1-en-2-ylpiperidine is sourced from PubChem (CID 142170476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).