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

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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).