2-[3,5-dimethyl-4-[[4-(1-methylpyrrol-2-yl)butan-2-ylamino]methyl]pyrazol-1-yl]ethanol

C17H28N4O — CID 111468987

IUPAC2-[3,5-dimethyl-4-[[4-(1-methylpyrrol-2-yl)butan-2-ylamino]methyl]pyrazol-1-yl]ethanol
SMILESCc1nn(CCO)c(C)c1CNC(C)CCc1cccn1C
InChIInChI=1S/C17H28N4O/c1-13(7-8-16-6-5-9-20(16)4)18-12-17-14(2)19-21(10-11-22)15(17)3/h5-6,9,13,18,22H,7-8,10-12H2,1-4H3
InChIKeyFHXMRHBEVNVXBC-UHFFFAOYSA-N
MW304.44 g/mol
LogP1.94
Rot. Bonds8

About 2-[3,5-dimethyl-4-[[4-(1-methylpyrrol-2-yl)butan-2-ylamino]methyl]pyrazol-1-yl]ethanol

2-[3,5-dimethyl-4-[[4-(1-methylpyrrol-2-yl)butan-2-ylamino]methyl]pyrazol-1-yl]ethanol (PubChem CID 111468987) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is 2-[3,5-dimethyl-4-[[4-(1-methylpyrrol-2-yl)butan-2-ylamino]methyl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[3,5-dimethyl-4-[[4-(1-methylpyrrol-2-yl)butan-2-ylamino]methyl]pyrazol-1-yl]ethanol
PubChem CID111468987
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name2-[3,5-dimethyl-4-[[4-(1-methylpyrrol-2-yl)butan-2-ylamino]methyl]pyrazol-1-yl]ethanol
SMILESCc1nn(CCO)c(C)c1CNC(C)CCc1cccn1C
InChIInChI=1S/C17H28N4O/c1-13(7-8-16-6-5-9-20(16)4)18-12-17-14(2)19-21(10-11-22)15(17)3/h5-6,9,13,18,22H,7-8,10-12H2,1-4H3
InChIKeyFHXMRHBEVNVXBC-UHFFFAOYSA-N
XLogP1.94
TPSA55.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[3,5-dimethyl-4-[[4-(1-methylpyrrol-2-yl)butan-2-ylamino]methyl]pyrazol-1-yl]ethanol with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dimethyl-4-[[4-(1-methylpyrrol-2-yl)butan-2-ylamino]methyl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[3,5-dimethyl-4-[[4-(1-methylpyrrol-2-yl)butan-2-ylamino]methyl]pyrazol-1-yl]ethanol (CID 111468987) is 2-[3,5-dimethyl-4-[[4-(1-methylpyrrol-2-yl)butan-2-ylamino]methyl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[3,5-dimethyl-4-[[4-(1-methylpyrrol-2-yl)butan-2-ylamino]methyl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[3,5-dimethyl-4-[[4-(1-methylpyrrol-2-yl)butan-2-ylamino]methyl]pyrazol-1-yl]ethanol is Cc1nn(CCO)c(C)c1CNC(C)CCc1cccn1C.
What is the InChIKey of 2-[3,5-dimethyl-4-[[4-(1-methylpyrrol-2-yl)butan-2-ylamino]methyl]pyrazol-1-yl]ethanol?
The InChIKey is FHXMRHBEVNVXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-13(7-8-16-6-5-9-20(16)4)18-12-17-14(2)19-21(10-11-22)15(17)3/h5-6,9,13,18,22H,7-8,10-12H2,1-4H3.
What are the key properties of 2-[3,5-dimethyl-4-[[4-(1-methylpyrrol-2-yl)butan-2-ylamino]methyl]pyrazol-1-yl]ethanol?
2-[3,5-dimethyl-4-[[4-(1-methylpyrrol-2-yl)butan-2-ylamino]methyl]pyrazol-1-yl]ethanol has a molecular weight of 304.44 g/mol, XLogP of 1.94, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dimethyl-4-[[4-(1-methylpyrrol-2-yl)butan-2-ylamino]methyl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 111468987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).