1-[[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-4-methylpyrrolidin-3-amine

C17H23ClN4 — CID 120909833

IUPAC1-[[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-4-methylpyrrolidin-3-amine
SMILESCc1nn(-c2ccc(Cl)cc2)c(C)c1CN1CC(C)C(N)C1
InChIInChI=1S/C17H23ClN4/c1-11-8-21(10-17(11)19)9-16-12(2)20-22(13(16)3)15-6-4-14(18)5-7-15/h4-7,11,17H,8-10,19H2,1-3H3
InChIKeyIXRDZTYWPBFTEY-UHFFFAOYSA-N
MW318.85 g/mol
LogP2.92
Rot. Bonds3

About 1-[[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-4-methylpyrrolidin-3-amine

1-[[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-4-methylpyrrolidin-3-amine (PubChem CID 120909833) has the molecular formula C17H23ClN4 and a molecular weight of 318.85 g/mol. Its IUPAC name is 1-[[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-4-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-4-methylpyrrolidin-3-amine
PubChem CID120909833
Molecular FormulaC17H23ClN4
Molecular Weight318.85 g/mol
Exact Mass318.16
IUPAC Name1-[[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-4-methylpyrrolidin-3-amine
SMILESCc1nn(-c2ccc(Cl)cc2)c(C)c1CN1CC(C)C(N)C1
InChIInChI=1S/C17H23ClN4/c1-11-8-21(10-17(11)19)9-16-12(2)20-22(13(16)3)15-6-4-14(18)5-7-15/h4-7,11,17H,8-10,19H2,1-3H3
InChIKeyIXRDZTYWPBFTEY-UHFFFAOYSA-N
XLogP2.92
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.85
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]azetidine-3-carboxylic acid
CID 122046745
1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-amine
CID 120909143
1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride
CID 120909142
4-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-amine
CID 103575106
1-(4-chlorophenyl)-4-ethyl-3,5-dimethylpyrazole
CID 50888250
1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-4-methylpyrrolidin-3-amine
CID 120909373
[(3R,4R)-1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine
CID 120769604
3-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]propanoic acid
CID 16796125
2-(4-chlorophenyl)-3-[4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazine
CID 59321841
(3S)-1-[2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]piperidine-3-carboxylic acid
CID 119173627
2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide
CID 120554239
(1-ethylpiperidin-3-yl) 2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]acetate
CID 55755698

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-4-methylpyrrolidin-3-amine?
The IUPAC name of 1-[[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-4-methylpyrrolidin-3-amine (CID 120909833) is 1-[[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-4-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-[[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-4-methylpyrrolidin-3-amine?
The canonical SMILES for 1-[[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-4-methylpyrrolidin-3-amine is Cc1nn(-c2ccc(Cl)cc2)c(C)c1CN1CC(C)C(N)C1.
What is the InChIKey of 1-[[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-4-methylpyrrolidin-3-amine?
The InChIKey is IXRDZTYWPBFTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN4/c1-11-8-21(10-17(11)19)9-16-12(2)20-22(13(16)3)15-6-4-14(18)5-7-15/h4-7,11,17H,8-10,19H2,1-3H3.
What are the key properties of 1-[[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-4-methylpyrrolidin-3-amine?
1-[[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-4-methylpyrrolidin-3-amine has a molecular weight of 318.85 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-4-methylpyrrolidin-3-amine is sourced from PubChem (CID 120909833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).