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

C19H27ClN4 — CID 120781074

IUPAC[1-[[1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine
SMILESCc1nn(Cc2ccc(Cl)cc2)c(C)c1CN1CCC(C)(CN)C1
InChIInChI=1S/C19H27ClN4/c1-14-18(11-23-9-8-19(3,12-21)13-23)15(2)24(22-14)10-16-4-6-17(20)7-5-16/h4-7H,8-13,21H2,1-3H3
InChIKeyZOKIVUCRBSGCDJ-UHFFFAOYSA-N
MW346.91 g/mol
LogP3.37
Rot. Bonds5

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

[1-[[1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine (PubChem CID 120781074) has the molecular formula C19H27ClN4 and a molecular weight of 346.91 g/mol. Its IUPAC name is [1-[[1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[[1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine
PubChem CID120781074
Molecular FormulaC19H27ClN4
Molecular Weight346.91 g/mol
Exact Mass346.19
IUPAC Name[1-[[1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine
SMILESCc1nn(Cc2ccc(Cl)cc2)c(C)c1CN1CCC(C)(CN)C1
InChIInChI=1S/C19H27ClN4/c1-14-18(11-23-9-8-19(3,12-21)13-23)15(2)24(22-14)10-16-4-6-17(20)7-5-16/h4-7H,8-13,21H2,1-3H3
InChIKeyZOKIVUCRBSGCDJ-UHFFFAOYSA-N
XLogP3.37
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.91
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120781068
ethyl 2-[4-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]-3,5-dimethylpyrazol-1-yl]acetate
CID 120847008
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]acetamide;dihydrochloride
CID 120772005
[1-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120781124
[1-[(2,6-dichlorophenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120771962
2-[[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120907296
[1-[(4-fluoro-3-methylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120780449
[1-[(4-fluorophenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120772034
[1-[(2,6-dimethylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120773794
[1-[(4-tert-butylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120771872
[1-[(5-chloro-2-fluorophenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120781196
[1-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120780515

Frequently Asked Questions

What is the IUPAC name of [1-[[1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine?
The IUPAC name of [1-[[1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine (CID 120781074) is [1-[[1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-[[1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-[[1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine is Cc1nn(Cc2ccc(Cl)cc2)c(C)c1CN1CCC(C)(CN)C1.
What is the InChIKey of [1-[[1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine?
The InChIKey is ZOKIVUCRBSGCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN4/c1-14-18(11-23-9-8-19(3,12-21)13-23)15(2)24(22-14)10-16-4-6-17(20)7-5-16/h4-7H,8-13,21H2,1-3H3.
What are the key properties of [1-[[1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine?
[1-[[1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine has a molecular weight of 346.91 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 120781074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).