(1R)-1-(3-chlorophenyl)-2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]ethanol

C17H17ClN4O — CID 95136931

IUPAC(1R)-1-(3-chlorophenyl)-2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]ethanol
SMILESO[C@@H](CNCc1cn[nH]c1-c1cccnc1)c1cccc(Cl)c1
InChIInChI=1S/C17H17ClN4O/c18-15-5-1-3-12(7-15)16(23)11-20-9-14-10-21-22-17(14)13-4-2-6-19-8-13/h1-8,10,16,20,23H,9,11H2,(H,21,22)/t16-/m0/s1
InChIKeyWNBGKQHLRRDPNJ-INIZCTEOSA-N
MW328.80 g/mol
LogP2.95
Rot. Bonds6

About (1R)-1-(3-chlorophenyl)-2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]ethanol

(1R)-1-(3-chlorophenyl)-2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]ethanol (PubChem CID 95136931) has the molecular formula C17H17ClN4O and a molecular weight of 328.80 g/mol. Its IUPAC name is (1R)-1-(3-chlorophenyl)-2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]ethanol.

Molecular Properties

Compound Name(1R)-1-(3-chlorophenyl)-2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]ethanol
PubChem CID95136931
Molecular FormulaC17H17ClN4O
Molecular Weight328.80 g/mol
Exact Mass328.11
IUPAC Name(1R)-1-(3-chlorophenyl)-2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]ethanol
SMILESO[C@@H](CNCc1cn[nH]c1-c1cccnc1)c1cccc(Cl)c1
InChIInChI=1S/C17H17ClN4O/c18-15-5-1-3-12(7-15)16(23)11-20-9-14-10-21-22-17(14)13-4-2-6-19-8-13/h1-8,10,16,20,23H,9,11H2,(H,21,22)/t16-/m0/s1
InChIKeyWNBGKQHLRRDPNJ-INIZCTEOSA-N
XLogP2.95
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (1R)-1-(3-chlorophenyl)-2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

{4-[3-(4-Fluorophenyl)-1h-Pyrazol-4-Yl]pyridin-2-Yl}methanol
CID 71710905
2-(4-(3-(4-chlorophenyl)-4-(pyridin-4-yl)-1H-pyrazol-5-yl)piperidin-1-yl)ethanol
CID 46884597
[2-[4-(1H-pyrazol-5-yl)phenyl]pyridin-4-yl]methanol
CID 74233397
1-(3-Chlorophenyl)-2-[2-(1-methylpyrrol-2-yl)ethylamino]ethanol
CID 11773059
[2-[[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]methyl]phenyl]methanol
CID 47626559
{4-[4-(1H-pyrazol-5-yl)phenyl]pyridin-2-yl}methanol
CID 50956474
(1R)-1-(2-chlorophenyl)-2-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methylamino]ethanol
CID 52394473
[3-[[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]methyl]phenyl]methanol
CID 72022487
(1R)-1-(2-fluorophenyl)-2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]ethanol
CID 97837251
1-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-3-phenylpropan-1-ol
CID 12106170
5-(4-Fluorophenyl)-4-(4-pyridinyl)-1h-pyrazole-3-methanol
CID 22037697
(3-fluorophenyl)-(4-pyridin-4-yl-1H-pyrazol-5-yl)methanol
CID 22574511

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-chlorophenyl)-2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]ethanol?
The IUPAC name of (1R)-1-(3-chlorophenyl)-2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]ethanol (CID 95136931) is (1R)-1-(3-chlorophenyl)-2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]ethanol.
What is the SMILES notation for (1R)-1-(3-chlorophenyl)-2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]ethanol?
The canonical SMILES for (1R)-1-(3-chlorophenyl)-2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]ethanol is O[C@@H](CNCc1cn[nH]c1-c1cccnc1)c1cccc(Cl)c1.
What is the InChIKey of (1R)-1-(3-chlorophenyl)-2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]ethanol?
The InChIKey is WNBGKQHLRRDPNJ-INIZCTEOSA-N. The full InChI is InChI=1S/C17H17ClN4O/c18-15-5-1-3-12(7-15)16(23)11-20-9-14-10-21-22-17(14)13-4-2-6-19-8-13/h1-8,10,16,20,23H,9,11H2,(H,21,22)/t16-/m0/s1.
What are the key properties of (1R)-1-(3-chlorophenyl)-2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]ethanol?
(1R)-1-(3-chlorophenyl)-2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]ethanol has a molecular weight of 328.80 g/mol, XLogP of 2.95, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-chlorophenyl)-2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]ethanol is sourced from PubChem (CID 95136931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).