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

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

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Related Compounds

3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methylpropan-1-amine
CID 118794146
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]propan-1-amine
CID 131943796
ethane;2-(4-ethyl-3-methylpyrazol-1-yl)ethanol
CID 169138415
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-(thiophen-3-ylmethyl)propan-1-amine
CID 77094011
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-(2-methylsulfonylethyl)propan-1-amine;formic acid
CID 154914359
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methyl-3-(4-methyl-1,3-thiazol-5-yl)propan-1-amine
CID 29258366
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]propan-1-amine
CID 74245488
N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N,1-dimethylindole-3-carboxamide
CID 91797561
4-[2-(3,4-dimethylpyrazol-1-yl)ethyl]-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3,5-dimethylpyrazole
CID 155429121
N-[[3-(1,3-benzodioxol-5-yl)-1-benzylpyrazol-4-yl]methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylethanamine
CID 28953743
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(1-propylimidazol-2-yl)methyl]ethanamine
CID 77095899
4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl-methylamino]butan-2-ol
CID 115883095

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).