1-[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine;hydrochloride

C20H31ClN4 — CID 120899227

IUPAC1-[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine;hydrochloride
SMILESCc1ccccc1-n1nc(C)c(CN(C)CC2(C)CCNC2)c1C.Cl
InChIInChI=1S/C20H30N4.ClH/c1-15-8-6-7-9-19(15)24-17(3)18(16(2)22-24)12-23(5)14-20(4)10-11-21-13-20;/h6-9,21H,10-14H2,1-5H3;1H
InChIKeyILUXZNVLBUXRAG-UHFFFAOYSA-N
MW362.95 g/mol
LogP3.65
Rot. Bonds5

About 1-[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine;hydrochloride

1-[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine;hydrochloride (PubChem CID 120899227) has the molecular formula C20H31ClN4 and a molecular weight of 362.95 g/mol. Its IUPAC name is 1-[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine;hydrochloride.

Molecular Properties

Compound Name1-[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine;hydrochloride
PubChem CID120899227
Molecular FormulaC20H31ClN4
Molecular Weight362.95 g/mol
Exact Mass362.22
IUPAC Name1-[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine;hydrochloride
SMILESCc1ccccc1-n1nc(C)c(CN(C)CC2(C)CCNC2)c1C.Cl
InChIInChI=1S/C20H30N4.ClH/c1-15-8-6-7-9-19(15)24-17(3)18(16(2)22-24)12-23(5)14-20(4)10-11-21-13-20;/h6-9,21H,10-14H2,1-5H3;1H
InChIKeyILUXZNVLBUXRAG-UHFFFAOYSA-N
XLogP3.65
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.95
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methanamine
CID 818484
[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methyl](methyl)amine
CID 4961800
4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]aniline
CID 4307928
[2-(3-methyl-1H-pyrazol-1-yl)phenyl]methanamine
CID 19627377
N-((3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methyl)cyclopentanamine
CID 43406622
4-[[[(1S,4S)-4-[3,5-dimethyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]cyclopent-2-en-1-yl]amino]methyl]-N,N-dimethylaniline
CID 40777668
(1S,4S)-N-benzyl-4-[3,5-dimethyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]cyclopent-2-en-1-amine
CID 40780373
(1S,4S)-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(4-fluorophenyl)methyl]cyclopent-2-en-1-amine
CID 40780440
13,26-Dibenzyl-3,6,9,12,13,16,19,22,25,26-decazatricyclo[22.2.1.111,14]octacosa-1(27),11,14(28),24-tetraene;hydrochloride
CID 70693088
6-(2,7-Diazaspiro[4.4]nonan-2-yl)-3-ethyl-1-phenylindazole
CID 58483612
4-(3,5-dimethyl-1H-pyrazol-1-yl)benzylamine
CID 16640534
2-(4-(3,5-dimethyl-1H-pyrazol-1-yl)phenyl)ethan-1-amine
CID 16769902

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine;hydrochloride?
The IUPAC name of 1-[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine;hydrochloride (CID 120899227) is 1-[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine;hydrochloride.
What is the SMILES notation for 1-[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine;hydrochloride?
The canonical SMILES for 1-[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine;hydrochloride is Cc1ccccc1-n1nc(C)c(CN(C)CC2(C)CCNC2)c1C.Cl.
What is the InChIKey of 1-[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine;hydrochloride?
The InChIKey is ILUXZNVLBUXRAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4.ClH/c1-15-8-6-7-9-19(15)24-17(3)18(16(2)22-24)12-23(5)14-20(4)10-11-21-13-20;/h6-9,21H,10-14H2,1-5H3;1H.
What are the key properties of 1-[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine;hydrochloride?
1-[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine;hydrochloride has a molecular weight of 362.95 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine;hydrochloride is sourced from PubChem (CID 120899227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).