1-(2-methylphenyl)-4-[(4-methylpiperidin-1-yl)methyl]pyrazol-5-amine

C17H24N4 — CID 82171714

IUPAC1-(2-methylphenyl)-4-[(4-methylpiperidin-1-yl)methyl]pyrazol-5-amine
SMILESCc1ccccc1-n1ncc(CN2CCC(C)CC2)c1N
InChIInChI=1S/C17H24N4/c1-13-7-9-20(10-8-13)12-15-11-19-21(17(15)18)16-6-4-3-5-14(16)2/h3-6,11,13H,7-10,12,18H2,1-2H3
InChIKeyQJGBPOJWLQWPJH-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.99
Rot. Bonds3

About 1-(2-methylphenyl)-4-[(4-methylpiperidin-1-yl)methyl]pyrazol-5-amine

1-(2-methylphenyl)-4-[(4-methylpiperidin-1-yl)methyl]pyrazol-5-amine (PubChem CID 82171714) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 1-(2-methylphenyl)-4-[(4-methylpiperidin-1-yl)methyl]pyrazol-5-amine.

Molecular Properties

Compound Name1-(2-methylphenyl)-4-[(4-methylpiperidin-1-yl)methyl]pyrazol-5-amine
PubChem CID82171714
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name1-(2-methylphenyl)-4-[(4-methylpiperidin-1-yl)methyl]pyrazol-5-amine
SMILESCc1ccccc1-n1ncc(CN2CCC(C)CC2)c1N
InChIInChI=1S/C17H24N4/c1-13-7-9-20(10-8-13)12-15-11-19-21(17(15)18)16-6-4-3-5-14(16)2/h3-6,11,13H,7-10,12,18H2,1-2H3
InChIKeyQJGBPOJWLQWPJH-UHFFFAOYSA-N
XLogP2.99
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methylphenyl)-4-(morpholin-4-ylmethyl)pyrazol-5-amine
CID 82171705
1-tert-butyl-4-[(4-methylpiperidin-1-yl)methyl]pyrazol-5-amine
CID 82171647
1-(4-methylphenyl)-4-(pyrrolidin-1-ylmethyl)pyrazol-5-amine
CID 82171682
1-[(2-methoxy-3-methylphenyl)methyl]-4-methylpiperidine
CID 142233666
1-(2-methylphenyl)-3-(pyrrolidin-1-ylmethyl)pyrazol-5-amine
CID 82171777
N-methyl-1-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]pyrrolidin-3-amine
CID 120834087
2-methyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 46476891
4,6-dimethyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrimidin-2-amine
CID 78899337
1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-4-[(2-methylphenyl)methyl]piperazine
CID 56881894
(3R,4R)-4-amino-1-[[2,4-dimethyl-5-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrrolidin-3-ol;dihydrochloride
CID 154905569
1-(2-methylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 16783373
(3R)-1-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]piperidin-3-amine
CID 120845954

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-4-[(4-methylpiperidin-1-yl)methyl]pyrazol-5-amine?
The IUPAC name of 1-(2-methylphenyl)-4-[(4-methylpiperidin-1-yl)methyl]pyrazol-5-amine (CID 82171714) is 1-(2-methylphenyl)-4-[(4-methylpiperidin-1-yl)methyl]pyrazol-5-amine.
What is the SMILES notation for 1-(2-methylphenyl)-4-[(4-methylpiperidin-1-yl)methyl]pyrazol-5-amine?
The canonical SMILES for 1-(2-methylphenyl)-4-[(4-methylpiperidin-1-yl)methyl]pyrazol-5-amine is Cc1ccccc1-n1ncc(CN2CCC(C)CC2)c1N.
What is the InChIKey of 1-(2-methylphenyl)-4-[(4-methylpiperidin-1-yl)methyl]pyrazol-5-amine?
The InChIKey is QJGBPOJWLQWPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-13-7-9-20(10-8-13)12-15-11-19-21(17(15)18)16-6-4-3-5-14(16)2/h3-6,11,13H,7-10,12,18H2,1-2H3.
What are the key properties of 1-(2-methylphenyl)-4-[(4-methylpiperidin-1-yl)methyl]pyrazol-5-amine?
1-(2-methylphenyl)-4-[(4-methylpiperidin-1-yl)methyl]pyrazol-5-amine has a molecular weight of 284.41 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-4-[(4-methylpiperidin-1-yl)methyl]pyrazol-5-amine is sourced from PubChem (CID 82171714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).