(3R)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-methylpiperidin-3-amine

C22H26N4 — CID 96998820

IUPAC(3R)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-methylpiperidin-3-amine
SMILESCN1CCC[C@@H](NCc2cn(-c3ccccc3)nc2-c2ccccc2)C1
InChIInChI=1S/C22H26N4/c1-25-14-8-11-20(17-25)23-15-19-16-26(21-12-6-3-7-13-21)24-22(19)18-9-4-2-5-10-18/h2-7,9-10,12-13,16,20,23H,8,11,14-15,17H2,1H3/t20-/m1/s1
InChIKeyOSEDBLONOFBGNJ-HXUWFJFHSA-N
MW346.48 g/mol
LogP3.72
Rot. Bonds5

About (3R)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-methylpiperidin-3-amine

(3R)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-methylpiperidin-3-amine (PubChem CID 96998820) has the molecular formula C22H26N4 and a molecular weight of 346.48 g/mol. Its IUPAC name is (3R)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-methylpiperidin-3-amine.

Molecular Properties

Compound Name(3R)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-methylpiperidin-3-amine
PubChem CID96998820
Molecular FormulaC22H26N4
Molecular Weight346.48 g/mol
Exact Mass346.22
IUPAC Name(3R)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-methylpiperidin-3-amine
SMILESCN1CCC[C@@H](NCc2cn(-c3ccccc3)nc2-c2ccccc2)C1
InChIInChI=1S/C22H26N4/c1-25-14-8-11-20(17-25)23-15-19-16-26(21-12-6-3-7-13-21)24-22(19)18-9-4-2-5-10-18/h2-7,9-10,12-13,16,20,23H,8,11,14-15,17H2,1H3/t20-/m1/s1
InChIKeyOSEDBLONOFBGNJ-HXUWFJFHSA-N
XLogP3.72
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]cyclobutanamine
CID 119125462
N-[[3-(4-ethylphenyl)-1-phenylpyrazol-4-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 119127493
4-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylamino]cyclohexane-1-carboxylic acid
CID 120509853
N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 119109290
1-[(1,3-diphenylpyrazol-4-yl)methyl]-3-pyrrolidin-1-ylpiperidine
CID 45251638
N-[(3-chloro-2-fluorophenyl)methyl]-1-methylpiperidin-3-amine
CID 115695883
1-[(1,3-diphenylpyrazol-4-yl)methyl]-3-pyrazolidin-3-ylpiperidine
CID 75099598
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]ethanamine
CID 119123222
1-methyl-N-[(3-methyl-4-pyridinyl)methyl]piperidin-3-amine
CID 114699054
N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-1-(1-propylpiperidin-4-yl)methanamine
CID 119122665
N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-phenylmethanamine;hydrochloride
CID 51110159
(4S)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
CID 26407661

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-methylpiperidin-3-amine?
The IUPAC name of (3R)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-methylpiperidin-3-amine (CID 96998820) is (3R)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-methylpiperidin-3-amine.
What is the SMILES notation for (3R)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-methylpiperidin-3-amine?
The canonical SMILES for (3R)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-methylpiperidin-3-amine is CN1CCC[C@@H](NCc2cn(-c3ccccc3)nc2-c2ccccc2)C1.
What is the InChIKey of (3R)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-methylpiperidin-3-amine?
The InChIKey is OSEDBLONOFBGNJ-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H26N4/c1-25-14-8-11-20(17-25)23-15-19-16-26(21-12-6-3-7-13-21)24-22(19)18-9-4-2-5-10-18/h2-7,9-10,12-13,16,20,23H,8,11,14-15,17H2,1H3/t20-/m1/s1.
What are the key properties of (3R)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-methylpiperidin-3-amine?
(3R)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-methylpiperidin-3-amine has a molecular weight of 346.48 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-methylpiperidin-3-amine is sourced from PubChem (CID 96998820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).