3-[[4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridin-2-amine

C21H25N5 — CID 70736621

IUPAC3-[[4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridin-2-amine
SMILESCc1ccccc1-c1cn[nH]c1C1CCN(Cc2cccnc2N)CC1
InChIInChI=1S/C21H25N5/c1-15-5-2-3-7-18(15)19-13-24-25-20(19)16-8-11-26(12-9-16)14-17-6-4-10-23-21(17)22/h2-7,10,13,16H,8-9,11-12,14H2,1H3,(H2,22,23)(H,24,25)
InChIKeyURXNRMPOMRYBPE-UHFFFAOYSA-N
MW347.47 g/mol
LogP3.74
Rot. Bonds4

About 3-[[4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridin-2-amine

3-[[4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridin-2-amine (PubChem CID 70736621) has the molecular formula C21H25N5 and a molecular weight of 347.47 g/mol. Its IUPAC name is 3-[[4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[[4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridin-2-amine
PubChem CID70736621
Molecular FormulaC21H25N5
Molecular Weight347.47 g/mol
Exact Mass347.21
IUPAC Name3-[[4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridin-2-amine
SMILESCc1ccccc1-c1cn[nH]c1C1CCN(Cc2cccnc2N)CC1
InChIInChI=1S/C21H25N5/c1-15-5-2-3-7-18(15)19-13-24-25-20(19)16-8-11-26(12-9-16)14-17-6-4-10-23-21(17)22/h2-7,10,13,16H,8-9,11-12,14H2,1H3,(H2,22,23)(H,24,25)
InChIKeyURXNRMPOMRYBPE-UHFFFAOYSA-N
XLogP3.74
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzyl-4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidine
CID 42165171
3-[[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridin-2-amine
CID 70747126
2-(methoxymethyl)-5-[[4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyrimidine
CID 70705801
1-[(2R)-2-methylbutyl]-4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidine
CID 42164961
3-(pyrrolidin-1-ylmethyl)pyridin-2-amine
CID 62470567
3-(piperidin-1-ylmethyl)pyridin-2-amine
CID 18771814
3-[(4-propan-2-ylpiperazin-1-yl)methyl]pyridin-2-amine
CID 62472253
N-[2-[4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]methanesulfonamide
CID 56741070
1-ethyl-4-(4-phenyl-1H-pyrazol-5-yl)piperidine
CID 70765763
[4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(4-propylpyrimidin-5-yl)methanone
CID 56744089
2-[(3S)-1-[(2-amino-3-pyridinyl)methyl]pyrrolidin-3-yl]benzoic acid
CID 95725244
4-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2,3-dichloropyridine
CID 129132926

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridin-2-amine?
The IUPAC name of 3-[[4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridin-2-amine (CID 70736621) is 3-[[4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridin-2-amine.
What is the SMILES notation for 3-[[4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridin-2-amine?
The canonical SMILES for 3-[[4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridin-2-amine is Cc1ccccc1-c1cn[nH]c1C1CCN(Cc2cccnc2N)CC1.
What is the InChIKey of 3-[[4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridin-2-amine?
The InChIKey is URXNRMPOMRYBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5/c1-15-5-2-3-7-18(15)19-13-24-25-20(19)16-8-11-26(12-9-16)14-17-6-4-10-23-21(17)22/h2-7,10,13,16H,8-9,11-12,14H2,1H3,(H2,22,23)(H,24,25).
What are the key properties of 3-[[4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridin-2-amine?
3-[[4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridin-2-amine has a molecular weight of 347.47 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridin-2-amine is sourced from PubChem (CID 70736621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).