[2-[[4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazin-1-yl]methyl]phenyl]methanol

C19H28N4O — CID 74243129

IUPAC[2-[[4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazin-1-yl]methyl]phenyl]methanol
SMILESCC(C)n1cc(CN2CCN(Cc3ccccc3CO)CC2)cn1
InChIInChI=1S/C19H28N4O/c1-16(2)23-13-17(11-20-23)12-21-7-9-22(10-8-21)14-18-5-3-4-6-19(18)15-24/h3-6,11,13,16,24H,7-10,12,14-15H2,1-2H3
InChIKeyDFEJPHKXKDDZMX-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.27
Rot. Bonds6

About [2-[[4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazin-1-yl]methyl]phenyl]methanol

[2-[[4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazin-1-yl]methyl]phenyl]methanol (PubChem CID 74243129) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is [2-[[4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazin-1-yl]methyl]phenyl]methanol.

Molecular Properties

Compound Name[2-[[4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazin-1-yl]methyl]phenyl]methanol
PubChem CID74243129
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC Name[2-[[4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazin-1-yl]methyl]phenyl]methanol
SMILESCC(C)n1cc(CN2CCN(Cc3ccccc3CO)CC2)cn1
InChIInChI=1S/C19H28N4O/c1-16(2)23-13-17(11-20-23)12-21-7-9-22(10-8-21)14-18-5-3-4-6-19(18)15-24/h3-6,11,13,16,24H,7-10,12,14-15H2,1-2H3
InChIKeyDFEJPHKXKDDZMX-UHFFFAOYSA-N
XLogP2.27
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[[4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazin-1-yl]methyl]phenyl]methanol with MolForge

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Related Compounds

4-(2-methoxyphenyl)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine
CID 77093189
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1-[(1-propan-2-ylpyrazol-4-yl)methyl]-4-[3-[4-(trifluoromethyl)phenyl]-2-pyridinyl]piperazine
CID 59321897
3,5-dimethyl-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazine
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(1S)-1-[(3S)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]ethanol
CID 129436530
[2-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]phenyl]methanol
CID 74237692
2-methyl-4-[4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazin-1-yl]-5-propylpyrimidine
CID 50984336
[2-[[4-[(6-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]phenyl]methanol
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[(2S)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methanol
CID 103885805
2-[4-benzyl-7-[[2-(hydroxymethyl)phenyl]methyl]-1,4,7-triazonan-1-yl]phenol
CID 142081994
2-ethyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline
CID 103817661
(2S)-2-imidazol-1-yl-1-[4-[(1-propan-2-ylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]propan-1-one
CID 95978214

Frequently Asked Questions

What is the IUPAC name of [2-[[4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazin-1-yl]methyl]phenyl]methanol?
The IUPAC name of [2-[[4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazin-1-yl]methyl]phenyl]methanol (CID 74243129) is [2-[[4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazin-1-yl]methyl]phenyl]methanol.
What is the SMILES notation for [2-[[4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazin-1-yl]methyl]phenyl]methanol?
The canonical SMILES for [2-[[4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazin-1-yl]methyl]phenyl]methanol is CC(C)n1cc(CN2CCN(Cc3ccccc3CO)CC2)cn1.
What is the InChIKey of [2-[[4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazin-1-yl]methyl]phenyl]methanol?
The InChIKey is DFEJPHKXKDDZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O/c1-16(2)23-13-17(11-20-23)12-21-7-9-22(10-8-21)14-18-5-3-4-6-19(18)15-24/h3-6,11,13,16,24H,7-10,12,14-15H2,1-2H3.
What are the key properties of [2-[[4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazin-1-yl]methyl]phenyl]methanol?
[2-[[4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazin-1-yl]methyl]phenyl]methanol has a molecular weight of 328.46 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazin-1-yl]methyl]phenyl]methanol is sourced from PubChem (CID 74243129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).