2-[5-(1H-imidazol-2-ylmethylamino)-3-(2-methylphenyl)pyrazol-1-yl]ethanol

C16H19N5O — CID 110929217

IUPAC2-[5-(1H-imidazol-2-ylmethylamino)-3-(2-methylphenyl)pyrazol-1-yl]ethanol
SMILESCc1ccccc1-c1cc(NCc2ncc[nH]2)n(CCO)n1
InChIInChI=1S/C16H19N5O/c1-12-4-2-3-5-13(12)14-10-16(21(20-14)8-9-22)19-11-15-17-6-7-18-15/h2-7,10,19,22H,8-9,11H2,1H3,(H,17,18)
InChIKeyZJNBGYHCGLORPH-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.19
Rot. Bonds6

About 2-[5-(1H-imidazol-2-ylmethylamino)-3-(2-methylphenyl)pyrazol-1-yl]ethanol

2-[5-(1H-imidazol-2-ylmethylamino)-3-(2-methylphenyl)pyrazol-1-yl]ethanol (PubChem CID 110929217) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is 2-[5-(1H-imidazol-2-ylmethylamino)-3-(2-methylphenyl)pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-(1H-imidazol-2-ylmethylamino)-3-(2-methylphenyl)pyrazol-1-yl]ethanol
PubChem CID110929217
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name2-[5-(1H-imidazol-2-ylmethylamino)-3-(2-methylphenyl)pyrazol-1-yl]ethanol
SMILESCc1ccccc1-c1cc(NCc2ncc[nH]2)n(CCO)n1
InChIInChI=1S/C16H19N5O/c1-12-4-2-3-5-13(12)14-10-16(21(20-14)8-9-22)19-11-15-17-6-7-18-15/h2-7,10,19,22H,8-9,11H2,1H3,(H,17,18)
InChIKeyZJNBGYHCGLORPH-UHFFFAOYSA-N
XLogP2.19
TPSA78.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(1H-imidazol-2-ylmethylamino)-3-(2-methylphenyl)pyrazol-1-yl]ethanol?
The IUPAC name of 2-[5-(1H-imidazol-2-ylmethylamino)-3-(2-methylphenyl)pyrazol-1-yl]ethanol (CID 110929217) is 2-[5-(1H-imidazol-2-ylmethylamino)-3-(2-methylphenyl)pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-(1H-imidazol-2-ylmethylamino)-3-(2-methylphenyl)pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[5-(1H-imidazol-2-ylmethylamino)-3-(2-methylphenyl)pyrazol-1-yl]ethanol is Cc1ccccc1-c1cc(NCc2ncc[nH]2)n(CCO)n1.
What is the InChIKey of 2-[5-(1H-imidazol-2-ylmethylamino)-3-(2-methylphenyl)pyrazol-1-yl]ethanol?
The InChIKey is ZJNBGYHCGLORPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c1-12-4-2-3-5-13(12)14-10-16(21(20-14)8-9-22)19-11-15-17-6-7-18-15/h2-7,10,19,22H,8-9,11H2,1H3,(H,17,18).
What are the key properties of 2-[5-(1H-imidazol-2-ylmethylamino)-3-(2-methylphenyl)pyrazol-1-yl]ethanol?
2-[5-(1H-imidazol-2-ylmethylamino)-3-(2-methylphenyl)pyrazol-1-yl]ethanol has a molecular weight of 297.36 g/mol, XLogP of 2.19, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1H-imidazol-2-ylmethylamino)-3-(2-methylphenyl)pyrazol-1-yl]ethanol is sourced from PubChem (CID 110929217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).