2-[4-[[[2-(dimethylamino)-3-pyridinyl]methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol

C16H25N5O — CID 47615988

IUPAC2-[4-[[[2-(dimethylamino)-3-pyridinyl]methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
SMILESCc1nn(CCO)c(C)c1CNCc1cccnc1N(C)C
InChIInChI=1S/C16H25N5O/c1-12-15(13(2)21(19-12)8-9-22)11-17-10-14-6-5-7-18-16(14)20(3)4/h5-7,17,22H,8-11H2,1-4H3
InChIKeyYWDRCUGNWMDQLH-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.24
Rot. Bonds7

About 2-[4-[[[2-(dimethylamino)-3-pyridinyl]methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol

2-[4-[[[2-(dimethylamino)-3-pyridinyl]methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol (PubChem CID 47615988) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-[4-[[[2-(dimethylamino)-3-pyridinyl]methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[[2-(dimethylamino)-3-pyridinyl]methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
PubChem CID47615988
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC Name2-[4-[[[2-(dimethylamino)-3-pyridinyl]methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
SMILESCc1nn(CCO)c(C)c1CNCc1cccnc1N(C)C
InChIInChI=1S/C16H25N5O/c1-12-15(13(2)21(19-12)8-9-22)11-17-10-14-6-5-7-18-16(14)20(3)4/h5-7,17,22H,8-11H2,1-4H3
InChIKeyYWDRCUGNWMDQLH-UHFFFAOYSA-N
XLogP1.24
TPSA66.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[[2-(dimethylamino)-3-pyridinyl]methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[[[2-(dimethylamino)-3-pyridinyl]methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol (CID 47615988) is 2-[4-[[[2-(dimethylamino)-3-pyridinyl]methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[[2-(dimethylamino)-3-pyridinyl]methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[[[2-(dimethylamino)-3-pyridinyl]methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol is Cc1nn(CCO)c(C)c1CNCc1cccnc1N(C)C.
What is the InChIKey of 2-[4-[[[2-(dimethylamino)-3-pyridinyl]methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol?
The InChIKey is YWDRCUGNWMDQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O/c1-12-15(13(2)21(19-12)8-9-22)11-17-10-14-6-5-7-18-16(14)20(3)4/h5-7,17,22H,8-11H2,1-4H3.
What are the key properties of 2-[4-[[[2-(dimethylamino)-3-pyridinyl]methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol?
2-[4-[[[2-(dimethylamino)-3-pyridinyl]methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol has a molecular weight of 303.41 g/mol, XLogP of 1.24, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[[2-(dimethylamino)-3-pyridinyl]methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol is sourced from PubChem (CID 47615988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).