2-[4-[[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl-methylamino]methyl]-3-methylpyrazol-1-yl]ethanol

C16H27N5O — CID 131938527

IUPAC2-[4-[[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl-methylamino]methyl]-3-methylpyrazol-1-yl]ethanol
SMILESCc1nn(CCO)cc1CN(C)CCCc1c(C)n[nH]c1C
InChIInChI=1S/C16H27N5O/c1-12-15(11-21(19-12)8-9-22)10-20(4)7-5-6-16-13(2)17-18-14(16)3/h11,22H,5-10H2,1-4H3,(H,17,18)
InChIKeyWRVOIPNZHQJWLD-UHFFFAOYSA-N
MW305.43 g/mol
LogP1.59
Rot. Bonds8

About 2-[4-[[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl-methylamino]methyl]-3-methylpyrazol-1-yl]ethanol

2-[4-[[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl-methylamino]methyl]-3-methylpyrazol-1-yl]ethanol (PubChem CID 131938527) has the molecular formula C16H27N5O and a molecular weight of 305.43 g/mol. Its IUPAC name is 2-[4-[[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl-methylamino]methyl]-3-methylpyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl-methylamino]methyl]-3-methylpyrazol-1-yl]ethanol
PubChem CID131938527
Molecular FormulaC16H27N5O
Molecular Weight305.43 g/mol
Exact Mass305.22
IUPAC Name2-[4-[[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl-methylamino]methyl]-3-methylpyrazol-1-yl]ethanol
SMILESCc1nn(CCO)cc1CN(C)CCCc1c(C)n[nH]c1C
InChIInChI=1S/C16H27N5O/c1-12-15(11-21(19-12)8-9-22)10-20(4)7-5-6-16-13(2)17-18-14(16)3/h11,22H,5-10H2,1-4H3,(H,17,18)
InChIKeyWRVOIPNZHQJWLD-UHFFFAOYSA-N
XLogP1.59
TPSA69.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl-methylamino]methyl]-3-methylpyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl-methylamino]methyl]-3-methylpyrazol-1-yl]ethanol (CID 131938527) is 2-[4-[[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl-methylamino]methyl]-3-methylpyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl-methylamino]methyl]-3-methylpyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl-methylamino]methyl]-3-methylpyrazol-1-yl]ethanol is Cc1nn(CCO)cc1CN(C)CCCc1c(C)n[nH]c1C.
What is the InChIKey of 2-[4-[[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl-methylamino]methyl]-3-methylpyrazol-1-yl]ethanol?
The InChIKey is WRVOIPNZHQJWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O/c1-12-15(11-21(19-12)8-9-22)10-20(4)7-5-6-16-13(2)17-18-14(16)3/h11,22H,5-10H2,1-4H3,(H,17,18).
What are the key properties of 2-[4-[[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl-methylamino]methyl]-3-methylpyrazol-1-yl]ethanol?
2-[4-[[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl-methylamino]methyl]-3-methylpyrazol-1-yl]ethanol has a molecular weight of 305.43 g/mol, XLogP of 1.59, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl-methylamino]methyl]-3-methylpyrazol-1-yl]ethanol is sourced from PubChem (CID 131938527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).