3-[2-[4-[(2-methylpyrazol-3-yl)-phenylmethyl]piperazin-1-yl]ethyl]phenol

C23H28N4O — CID 121415159

IUPAC3-[2-[4-[(2-methylpyrazol-3-yl)-phenylmethyl]piperazin-1-yl]ethyl]phenol
SMILESCn1nccc1C(c1ccccc1)N1CCN(CCc2cccc(O)c2)CC1
InChIInChI=1S/C23H28N4O/c1-25-22(10-12-24-25)23(20-7-3-2-4-8-20)27-16-14-26(15-17-27)13-11-19-6-5-9-21(28)18-19/h2-10,12,18,23,28H,11,13-17H2,1H3
InChIKeyTXRMCVWAIPHRKZ-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.08
Rot. Bonds6

About 3-[2-[4-[(2-methylpyrazol-3-yl)-phenylmethyl]piperazin-1-yl]ethyl]phenol

3-[2-[4-[(2-methylpyrazol-3-yl)-phenylmethyl]piperazin-1-yl]ethyl]phenol (PubChem CID 121415159) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is 3-[2-[4-[(2-methylpyrazol-3-yl)-phenylmethyl]piperazin-1-yl]ethyl]phenol.

Molecular Properties

Compound Name3-[2-[4-[(2-methylpyrazol-3-yl)-phenylmethyl]piperazin-1-yl]ethyl]phenol
PubChem CID121415159
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC Name3-[2-[4-[(2-methylpyrazol-3-yl)-phenylmethyl]piperazin-1-yl]ethyl]phenol
SMILESCn1nccc1C(c1ccccc1)N1CCN(CCc2cccc(O)c2)CC1
InChIInChI=1S/C23H28N4O/c1-25-22(10-12-24-25)23(20-7-3-2-4-8-20)27-16-14-26(15-17-27)13-11-19-6-5-9-21(28)18-19/h2-10,12,18,23,28H,11,13-17H2,1H3
InChIKeyTXRMCVWAIPHRKZ-UHFFFAOYSA-N
XLogP3.08
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2-methylpyrazol-3-yl)-phenylmethyl]-4-(2-phenylethyl)piperazine
CID 121433185
N-[6-[2-[4-[(2-methylpyrazol-3-yl)-phenylmethyl]piperazin-1-yl]ethyl]-2-pyridinyl]methanesulfonamide
CID 121433150
3-(2-morpholin-4-ylethyl)phenol
CID 82187913
4-[2-(4-benzhydrylpiperazin-1-yl)ethyl]-1,3-thiazole
CID 171913174
1-benzhydryl-4-butylpiperazine
CID 13416419
1-benzhydryl-4-(2-piperidin-1-ylethyl)piperazine
CID 71411855
4-(4-benzhydrylpiperazin-1-yl)butan-2-amine
CID 71433044
2-[4-[(R)-phenyl(pyridin-4-yl)methyl]piperazin-1-yl]ethanamine
CID 174413644
1-benzhydryl-4-octylpiperazine
CID 12006583
1-benzhydryl-4-ethylpiperazine;ethane
CID 156743025
3-[2-[4-(3-methylbut-2-enyl)piperazin-1-yl]-2-phenylethyl]phenol;dihydrochloride
CID 10410036
[3-(2-morpholin-4-ylethyl)phenyl]-phenylmethanamine;dihydrochloride
CID 12805085

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-[(2-methylpyrazol-3-yl)-phenylmethyl]piperazin-1-yl]ethyl]phenol?
The IUPAC name of 3-[2-[4-[(2-methylpyrazol-3-yl)-phenylmethyl]piperazin-1-yl]ethyl]phenol (CID 121415159) is 3-[2-[4-[(2-methylpyrazol-3-yl)-phenylmethyl]piperazin-1-yl]ethyl]phenol.
What is the SMILES notation for 3-[2-[4-[(2-methylpyrazol-3-yl)-phenylmethyl]piperazin-1-yl]ethyl]phenol?
The canonical SMILES for 3-[2-[4-[(2-methylpyrazol-3-yl)-phenylmethyl]piperazin-1-yl]ethyl]phenol is Cn1nccc1C(c1ccccc1)N1CCN(CCc2cccc(O)c2)CC1.
What is the InChIKey of 3-[2-[4-[(2-methylpyrazol-3-yl)-phenylmethyl]piperazin-1-yl]ethyl]phenol?
The InChIKey is TXRMCVWAIPHRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O/c1-25-22(10-12-24-25)23(20-7-3-2-4-8-20)27-16-14-26(15-17-27)13-11-19-6-5-9-21(28)18-19/h2-10,12,18,23,28H,11,13-17H2,1H3.
What are the key properties of 3-[2-[4-[(2-methylpyrazol-3-yl)-phenylmethyl]piperazin-1-yl]ethyl]phenol?
3-[2-[4-[(2-methylpyrazol-3-yl)-phenylmethyl]piperazin-1-yl]ethyl]phenol has a molecular weight of 376.50 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-[(2-methylpyrazol-3-yl)-phenylmethyl]piperazin-1-yl]ethyl]phenol is sourced from PubChem (CID 121415159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).