(1R)-1-[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]phenyl]ethanol

C14H19N3O — CID 55183379

IUPAC(1R)-1-[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]phenyl]ethanol
SMILESC[C@@H](O)c1ccc(N(C)Cc2cnn(C)c2)cc1
InChIInChI=1S/C14H19N3O/c1-11(18)13-4-6-14(7-5-13)16(2)9-12-8-15-17(3)10-12/h4-8,10-11,18H,9H2,1-3H3/t11-/m1/s1
InChIKeyHTBCWTCLQMAFOE-LLVKDONJSA-N
MW245.33 g/mol
LogP2.11
Rot. Bonds4

About (1R)-1-[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]phenyl]ethanol

(1R)-1-[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]phenyl]ethanol (PubChem CID 55183379) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is (1R)-1-[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]phenyl]ethanol
PubChem CID55183379
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name(1R)-1-[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]phenyl]ethanol
SMILESC[C@@H](O)c1ccc(N(C)Cc2cnn(C)c2)cc1
InChIInChI=1S/C14H19N3O/c1-11(18)13-4-6-14(7-5-13)16(2)9-12-8-15-17(3)10-12/h4-8,10-11,18H,9H2,1-3H3/t11-/m1/s1
InChIKeyHTBCWTCLQMAFOE-LLVKDONJSA-N
XLogP2.11
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-nitroaniline
CID 31921129
(1S)-1-[4-[methyl(pyridin-3-ylmethyl)amino]phenyl]ethanol
CID 63371061
2-fluoro-N-methyl-4-[1-(methylamino)ethyl]-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 61442079
4-(aminomethyl)-3-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 55154692
N,N-dimethyl-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]aniline
CID 75402177
2-bromo-4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]benzenecarbothioamide
CID 107277474
N-methyl-6-[1-(methylamino)propyl]-N-[(1-methylpyrazol-4-yl)methyl]pyridin-3-amine
CID 115939368
2-methyl-4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]benzonitrile
CID 81281986
1-(4-methoxyphenyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol
CID 60981581
3,3-dimethyl-4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]butan-2-ol
CID 66452397
2-[(1S)-1-aminoethyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 78934710
2-ethoxy-4-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]benzene-1,4-diamine
CID 63672184

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]phenyl]ethanol?
The IUPAC name of (1R)-1-[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]phenyl]ethanol (CID 55183379) is (1R)-1-[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]phenyl]ethanol.
What is the SMILES notation for (1R)-1-[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]phenyl]ethanol?
The canonical SMILES for (1R)-1-[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]phenyl]ethanol is C[C@@H](O)c1ccc(N(C)Cc2cnn(C)c2)cc1.
What is the InChIKey of (1R)-1-[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]phenyl]ethanol?
The InChIKey is HTBCWTCLQMAFOE-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19N3O/c1-11(18)13-4-6-14(7-5-13)16(2)9-12-8-15-17(3)10-12/h4-8,10-11,18H,9H2,1-3H3/t11-/m1/s1.
What are the key properties of (1R)-1-[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]phenyl]ethanol?
(1R)-1-[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]phenyl]ethanol has a molecular weight of 245.33 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]phenyl]ethanol is sourced from PubChem (CID 55183379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).