(2S)-1-[4-[[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylamino]methyl]piperidin-1-yl]propan-2-ol

C20H30N4O — CID 95272346

IUPAC(2S)-1-[4-[[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylamino]methyl]piperidin-1-yl]propan-2-ol
SMILESCc1ccc(-c2[nH]ncc2CNCC2CCN(C[C@H](C)O)CC2)cc1
InChIInChI=1S/C20H30N4O/c1-15-3-5-18(6-4-15)20-19(13-22-23-20)12-21-11-17-7-9-24(10-8-17)14-16(2)25/h3-6,13,16-17,21,25H,7-12,14H2,1-2H3,(H,22,23)/t16-/m0/s1
InChIKeyAIFDGFWJWMSLRQ-INIZCTEOSA-N
MW342.49 g/mol
LogP2.57
Rot. Bonds7

About (2S)-1-[4-[[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylamino]methyl]piperidin-1-yl]propan-2-ol

(2S)-1-[4-[[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylamino]methyl]piperidin-1-yl]propan-2-ol (PubChem CID 95272346) has the molecular formula C20H30N4O and a molecular weight of 342.49 g/mol. Its IUPAC name is (2S)-1-[4-[[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylamino]methyl]piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[4-[[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylamino]methyl]piperidin-1-yl]propan-2-ol
PubChem CID95272346
Molecular FormulaC20H30N4O
Molecular Weight342.49 g/mol
Exact Mass342.24
IUPAC Name(2S)-1-[4-[[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylamino]methyl]piperidin-1-yl]propan-2-ol
SMILESCc1ccc(-c2[nH]ncc2CNCC2CCN(C[C@H](C)O)CC2)cc1
InChIInChI=1S/C20H30N4O/c1-15-3-5-18(6-4-15)20-19(13-22-23-20)12-21-11-17-7-9-24(10-8-17)14-16(2)25/h3-6,13,16-17,21,25H,7-12,14H2,1-2H3,(H,22,23)/t16-/m0/s1
InChIKeyAIFDGFWJWMSLRQ-INIZCTEOSA-N
XLogP2.57
TPSA64.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S)-1-[4-[[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylamino]methyl]piperidin-1-yl]propan-2-ol with MolForge

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Related Compounds

3-(1-{[3-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl}piperidin-3-yl)propan-1-ol
CID 16187516
N'-methyl-N'-[[5-[4-(2-methylpropyl)phenyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine
CID 117671019
2-{[5-(3,4-Dimethyl-phenyl)-1H-pyrazol-4-ylmethyl]-ethyl-amino}-ethanol
CID 648723
2-[4-[(3-cyclohexyl-1H-pyrazol-4-yl)methyl]-1-(4-methylbenzyl)-2-piperazinyl]ethanol
CID 16188712
1-(3-biphenyl-4-yl-1H-pyrazol-4-yl)-N-methyl-N-(tetrahydro-2H-pyran-4-ylmethyl)methanamine
CID 16190754
1-(3-{[(3-biphenyl-4-yl-1H-pyrazol-4-yl)methyl]amino}propyl)piperidine-3-carboxamide
CID 16191459
1-(4-methylphenyl)-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]methanamine
CID 3915663
1-(3-biphenyl-4-yl-1H-pyrazol-4-yl)-N-(tetrahydro-2H-pyran-2-ylmethyl)methanamine
CID 16190169
1-[3-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]-N-{[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl}methanamine
CID 16190705
N-[(3-biphenyl-4-yl-1H-pyrazol-4-yl)methyl]-N-methyl-2-(tetrahydro-2H-pyran-4-yl)ethanamine
CID 16190824
1-(4-benzylmorpholin-2-yl)-N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]methanamine
CID 16368122
(3S)-1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol
CID 96405438

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-[[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylamino]methyl]piperidin-1-yl]propan-2-ol?
The IUPAC name of (2S)-1-[4-[[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylamino]methyl]piperidin-1-yl]propan-2-ol (CID 95272346) is (2S)-1-[4-[[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylamino]methyl]piperidin-1-yl]propan-2-ol.
What is the SMILES notation for (2S)-1-[4-[[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylamino]methyl]piperidin-1-yl]propan-2-ol?
The canonical SMILES for (2S)-1-[4-[[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylamino]methyl]piperidin-1-yl]propan-2-ol is Cc1ccc(-c2[nH]ncc2CNCC2CCN(C[C@H](C)O)CC2)cc1.
What is the InChIKey of (2S)-1-[4-[[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylamino]methyl]piperidin-1-yl]propan-2-ol?
The InChIKey is AIFDGFWJWMSLRQ-INIZCTEOSA-N. The full InChI is InChI=1S/C20H30N4O/c1-15-3-5-18(6-4-15)20-19(13-22-23-20)12-21-11-17-7-9-24(10-8-17)14-16(2)25/h3-6,13,16-17,21,25H,7-12,14H2,1-2H3,(H,22,23)/t16-/m0/s1.
What are the key properties of (2S)-1-[4-[[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylamino]methyl]piperidin-1-yl]propan-2-ol?
(2S)-1-[4-[[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylamino]methyl]piperidin-1-yl]propan-2-ol has a molecular weight of 342.49 g/mol, XLogP of 2.57, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-[[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylamino]methyl]piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 95272346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).