2-[3,5-dimethyl-4-[[(1-propan-2-ylpyrazol-4-yl)amino]methyl]pyrazol-1-yl]ethanol

C14H23N5O — CID 110928980

IUPAC2-[3,5-dimethyl-4-[[(1-propan-2-ylpyrazol-4-yl)amino]methyl]pyrazol-1-yl]ethanol
SMILESCc1nn(CCO)c(C)c1CNc1cnn(C(C)C)c1
InChIInChI=1S/C14H23N5O/c1-10(2)19-9-13(7-16-19)15-8-14-11(3)17-18(5-6-20)12(14)4/h7,9-10,15,20H,5-6,8H2,1-4H3
InChIKeyNRYVWDGAQIBVLH-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.88
Rot. Bonds6

About 2-[3,5-dimethyl-4-[[(1-propan-2-ylpyrazol-4-yl)amino]methyl]pyrazol-1-yl]ethanol

2-[3,5-dimethyl-4-[[(1-propan-2-ylpyrazol-4-yl)amino]methyl]pyrazol-1-yl]ethanol (PubChem CID 110928980) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-[3,5-dimethyl-4-[[(1-propan-2-ylpyrazol-4-yl)amino]methyl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[3,5-dimethyl-4-[[(1-propan-2-ylpyrazol-4-yl)amino]methyl]pyrazol-1-yl]ethanol
PubChem CID110928980
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name2-[3,5-dimethyl-4-[[(1-propan-2-ylpyrazol-4-yl)amino]methyl]pyrazol-1-yl]ethanol
SMILESCc1nn(CCO)c(C)c1CNc1cnn(C(C)C)c1
InChIInChI=1S/C14H23N5O/c1-10(2)19-9-13(7-16-19)15-8-14-11(3)17-18(5-6-20)12(14)4/h7,9-10,15,20H,5-6,8H2,1-4H3
InChIKeyNRYVWDGAQIBVLH-UHFFFAOYSA-N
XLogP1.88
TPSA67.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3,5-dimethyl-4-[[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]methyl]pyrazol-1-yl]ethanol
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2-[3,5-dimethyl-4-[[(3-methyl-2-pyridinyl)amino]methyl]pyrazol-1-yl]ethanol
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2-[3,5-dimethyl-4-[[3-(3-methylbutoxy)anilino]methyl]pyrazol-1-yl]ethanol
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2-[4-[[3-(difluoromethoxy)anilino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
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2-[3,5-dimethyl-4-[(3-methylpentan-2-ylamino)methyl]pyrazol-1-yl]ethanol
CID 110906220
2-[3,5-dimethyl-4-[[(6-methyl-2-pyridinyl)amino]methyl]pyrazol-1-yl]ethanol
CID 110905729
methyl 2-[4-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methylamino]phenyl]-2-methylpropanoate
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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dimethyl-4-[[(1-propan-2-ylpyrazol-4-yl)amino]methyl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[3,5-dimethyl-4-[[(1-propan-2-ylpyrazol-4-yl)amino]methyl]pyrazol-1-yl]ethanol (CID 110928980) is 2-[3,5-dimethyl-4-[[(1-propan-2-ylpyrazol-4-yl)amino]methyl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[3,5-dimethyl-4-[[(1-propan-2-ylpyrazol-4-yl)amino]methyl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[3,5-dimethyl-4-[[(1-propan-2-ylpyrazol-4-yl)amino]methyl]pyrazol-1-yl]ethanol is Cc1nn(CCO)c(C)c1CNc1cnn(C(C)C)c1.
What is the InChIKey of 2-[3,5-dimethyl-4-[[(1-propan-2-ylpyrazol-4-yl)amino]methyl]pyrazol-1-yl]ethanol?
The InChIKey is NRYVWDGAQIBVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-10(2)19-9-13(7-16-19)15-8-14-11(3)17-18(5-6-20)12(14)4/h7,9-10,15,20H,5-6,8H2,1-4H3.
What are the key properties of 2-[3,5-dimethyl-4-[[(1-propan-2-ylpyrazol-4-yl)amino]methyl]pyrazol-1-yl]ethanol?
2-[3,5-dimethyl-4-[[(1-propan-2-ylpyrazol-4-yl)amino]methyl]pyrazol-1-yl]ethanol has a molecular weight of 277.37 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dimethyl-4-[[(1-propan-2-ylpyrazol-4-yl)amino]methyl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 110928980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).