2-[N-[(1-methylpyrazol-4-yl)methyl]anilino]ethanol

C13H17N3O — CID 110881469

IUPAC2-[N-[(1-methylpyrazol-4-yl)methyl]anilino]ethanol
SMILESCn1cc(CN(CCO)c2ccccc2)cn1
InChIInChI=1S/C13H17N3O/c1-15-10-12(9-14-15)11-16(7-8-17)13-5-3-2-4-6-13/h2-6,9-10,17H,7-8,11H2,1H3
InChIKeyUXOXMOCRBUGCNG-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.42
Rot. Bonds5

About 2-[N-[(1-methylpyrazol-4-yl)methyl]anilino]ethanol

2-[N-[(1-methylpyrazol-4-yl)methyl]anilino]ethanol (PubChem CID 110881469) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-[N-[(1-methylpyrazol-4-yl)methyl]anilino]ethanol.

Molecular Properties

Compound Name2-[N-[(1-methylpyrazol-4-yl)methyl]anilino]ethanol
PubChem CID110881469
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-[N-[(1-methylpyrazol-4-yl)methyl]anilino]ethanol
SMILESCn1cc(CN(CCO)c2ccccc2)cn1
InChIInChI=1S/C13H17N3O/c1-15-10-12(9-14-15)11-16(7-8-17)13-5-3-2-4-6-13/h2-6,9-10,17H,7-8,11H2,1H3
InChIKeyUXOXMOCRBUGCNG-UHFFFAOYSA-N
XLogP1.42
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[N-(pyrimidin-5-ylmethyl)anilino]ethanol
CID 99835017
N-benzyl-2-bromo-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 80678771
2-[2,2-difluoroethyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol
CID 107485701
2-[[N-[(1-methylpyrazol-4-yl)methyl]anilino]methyl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 167836895
2-(1-methylpyrazol-4-yl)ethanol
CID 17028076
2-benzyl-2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]butane-1,2-diamine
CID 79008921
3-[N-[(1-ethylpyrazol-4-yl)methyl]anilino]-N'-hydroxypropanimidamide
CID 76936298
N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-nitroaniline
CID 133276475
2-[benzyl(2-hydroxyethyl)amino]-1-(1-methylpyrazol-4-yl)ethanone
CID 170711377
2-[N-[(1-ethylpyrazol-4-yl)methyl]anilino]acetic acid
CID 62128174
N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-3-phenylpropan-1-amine
CID 77093539
acetic acid;2-[N-(2-hydroxyethyl)anilino]ethanol
CID 22412424

Frequently Asked Questions

What is the IUPAC name of 2-[N-[(1-methylpyrazol-4-yl)methyl]anilino]ethanol?
The IUPAC name of 2-[N-[(1-methylpyrazol-4-yl)methyl]anilino]ethanol (CID 110881469) is 2-[N-[(1-methylpyrazol-4-yl)methyl]anilino]ethanol.
What is the SMILES notation for 2-[N-[(1-methylpyrazol-4-yl)methyl]anilino]ethanol?
The canonical SMILES for 2-[N-[(1-methylpyrazol-4-yl)methyl]anilino]ethanol is Cn1cc(CN(CCO)c2ccccc2)cn1.
What is the InChIKey of 2-[N-[(1-methylpyrazol-4-yl)methyl]anilino]ethanol?
The InChIKey is UXOXMOCRBUGCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-15-10-12(9-14-15)11-16(7-8-17)13-5-3-2-4-6-13/h2-6,9-10,17H,7-8,11H2,1H3.
What are the key properties of 2-[N-[(1-methylpyrazol-4-yl)methyl]anilino]ethanol?
2-[N-[(1-methylpyrazol-4-yl)methyl]anilino]ethanol has a molecular weight of 231.30 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-[(1-methylpyrazol-4-yl)methyl]anilino]ethanol is sourced from PubChem (CID 110881469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).