(3R,4R)-4-(4-methylpiperazin-1-yl)-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-ol

C19H27N5O — CID 133127360

IUPAC(3R,4R)-4-(4-methylpiperazin-1-yl)-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-ol
SMILESCN1CCN([C@@H]2CN(Cc3ccc(-n4cccn4)cc3)C[C@H]2O)CC1
InChIInChI=1S/C19H27N5O/c1-21-9-11-23(12-10-21)18-14-22(15-19(18)25)13-16-3-5-17(6-4-16)24-8-2-7-20-24/h2-8,18-19,25H,9-15H2,1H3/t18-,19-/m1/s1
InChIKeyKIFOFWXTBYEJHL-RTBURBONSA-N
MW341.46 g/mol
LogP0.66
Rot. Bonds4

About (3R,4R)-4-(4-methylpiperazin-1-yl)-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-ol

(3R,4R)-4-(4-methylpiperazin-1-yl)-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-ol (PubChem CID 133127360) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is (3R,4R)-4-(4-methylpiperazin-1-yl)-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-(4-methylpiperazin-1-yl)-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-ol
PubChem CID133127360
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name(3R,4R)-4-(4-methylpiperazin-1-yl)-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-ol
SMILESCN1CCN([C@@H]2CN(Cc3ccc(-n4cccn4)cc3)C[C@H]2O)CC1
InChIInChI=1S/C19H27N5O/c1-21-9-11-23(12-10-21)18-14-22(15-19(18)25)13-16-3-5-17(6-4-16)24-8-2-7-20-24/h2-8,18-19,25H,9-15H2,1H3/t18-,19-/m1/s1
InChIKeyKIFOFWXTBYEJHL-RTBURBONSA-N
XLogP0.66
TPSA47.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R,4R)-4-(4-methylpiperazin-1-yl)-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-ol with MolForge

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Related Compounds

(3R,4R)-1-[[4-(N-methylanilino)phenyl]methyl]-4-(4-methylpiperazin-1-yl)pyrrolidin-3-ol
CID 133113566
(3R,4R)-4-(4-methylpiperazin-1-yl)-1-[[1-(4-propan-2-ylphenyl)pyrazol-4-yl]methyl]pyrrolidin-3-ol
CID 133117300
(3R)-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-ol
CID 63365329
(3S,4S)-4-(4-methylpiperazin-1-yl)-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidin-3-ol
CID 129458176
3-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-ol
CID 114681410
4-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-amine
CID 103576557
(3S,4S)-1-(1H-imidazol-2-ylmethyl)-4-(4-methylpiperazin-1-yl)pyrrolidin-3-ol
CID 50956578
2-[1-[(4-pyrazol-1-ylphenyl)methyl]azetidin-3-yl]propanoic acid
CID 116683944
4-[(4-pyrazol-1-ylphenyl)methyl]-1,4-thiazinane 1,1-dioxide
CID 2738459
1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119917477
3-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-amine
CID 79868378
3-imidazol-1-yl-4-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]piperidine
CID 75438067

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-(4-methylpiperazin-1-yl)-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-ol?
The IUPAC name of (3R,4R)-4-(4-methylpiperazin-1-yl)-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-ol (CID 133127360) is (3R,4R)-4-(4-methylpiperazin-1-yl)-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-4-(4-methylpiperazin-1-yl)-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-4-(4-methylpiperazin-1-yl)-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-ol is CN1CCN([C@@H]2CN(Cc3ccc(-n4cccn4)cc3)C[C@H]2O)CC1.
What is the InChIKey of (3R,4R)-4-(4-methylpiperazin-1-yl)-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-ol?
The InChIKey is KIFOFWXTBYEJHL-RTBURBONSA-N. The full InChI is InChI=1S/C19H27N5O/c1-21-9-11-23(12-10-21)18-14-22(15-19(18)25)13-16-3-5-17(6-4-16)24-8-2-7-20-24/h2-8,18-19,25H,9-15H2,1H3/t18-,19-/m1/s1.
What are the key properties of (3R,4R)-4-(4-methylpiperazin-1-yl)-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-ol?
(3R,4R)-4-(4-methylpiperazin-1-yl)-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-ol has a molecular weight of 341.46 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-(4-methylpiperazin-1-yl)-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 133127360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).