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

C21H25N5 — CID 70747126

IUPAC3-[[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridin-2-amine
SMILESCc1ccc(-c2cn[nH]c2C2CCCN(Cc3cccnc3N)C2)cc1
InChIInChI=1S/C21H25N5/c1-15-6-8-16(9-7-15)19-12-24-25-20(19)17-5-3-11-26(13-17)14-18-4-2-10-23-21(18)22/h2,4,6-10,12,17H,3,5,11,13-14H2,1H3,(H2,22,23)(H,24,25)
InChIKeyIBMLJBQTCMIWDV-UHFFFAOYSA-N
MW347.47 g/mol
LogP3.74
Rot. Bonds4

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

3-[[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridin-2-amine (PubChem CID 70747126) has the molecular formula C21H25N5 and a molecular weight of 347.47 g/mol. Its IUPAC name is 3-[[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridin-2-amine
PubChem CID70747126
Molecular FormulaC21H25N5
Molecular Weight347.47 g/mol
Exact Mass347.21
IUPAC Name3-[[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridin-2-amine
SMILESCc1ccc(-c2cn[nH]c2C2CCCN(Cc3cccnc3N)C2)cc1
InChIInChI=1S/C21H25N5/c1-15-6-8-16(9-7-15)19-12-24-25-20(19)17-5-3-11-26(13-17)14-18-4-2-10-23-21(18)22/h2,4,6-10,12,17H,3,5,11,13-14H2,1H3,(H2,22,23)(H,24,25)
InChIKeyIBMLJBQTCMIWDV-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-[[3-[4-(4-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

2-[2-[[(3R)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyrrol-1-yl]pyridine
CID 29208732
3-[[4-[4-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridin-2-amine
CID 70736621
(3S)-1-[(2,6-dimethoxyphenyl)methyl]-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidine
CID 29087992
(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]-1-(2-methylpropyl)piperidine
CID 29256573
1-[(2,4-difluorophenyl)methyl]-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 45216943
2-[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyrimidin-4-amine
CID 95197091
(3S)-3-[4-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-1-[(4-methylphenyl)methyl]piperidine
CID 42479334
2-[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyridine-3-carboxylic acid
CID 95223986
3-(4-phenyl-1H-pyrazol-5-yl)-1-(1H-pyrazol-5-ylmethyl)piperidine
CID 45248311
(3S)-1-[(2,6-difluorophenyl)methyl]-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 26401706
3-[4-(2,6-difluorophenyl)-1H-pyrazol-5-yl]-1-[(2-fluorophenyl)methyl]piperidine
CID 45218502
4-[[(3S)-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid
CID 95220798

Frequently Asked Questions

What is the IUPAC name of 3-[[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridin-2-amine?
The IUPAC name of 3-[[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridin-2-amine (CID 70747126) is 3-[[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridin-2-amine.
What is the SMILES notation for 3-[[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridin-2-amine?
The canonical SMILES for 3-[[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridin-2-amine is Cc1ccc(-c2cn[nH]c2C2CCCN(Cc3cccnc3N)C2)cc1.
What is the InChIKey of 3-[[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridin-2-amine?
The InChIKey is IBMLJBQTCMIWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5/c1-15-6-8-16(9-7-15)19-12-24-25-20(19)17-5-3-11-26(13-17)14-18-4-2-10-23-21(18)22/h2,4,6-10,12,17H,3,5,11,13-14H2,1H3,(H2,22,23)(H,24,25).
What are the key properties of 3-[[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridin-2-amine?
3-[[3-[4-(4-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-[[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridin-2-amine is sourced from PubChem (CID 70747126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).