5-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-2-methoxyphenol

C13H17N3O2 — CID 43547406

IUPAC5-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-2-methoxyphenol
SMILESCOc1ccc(CNc2c(C)n[nH]c2C)cc1O
InChIInChI=1S/C13H17N3O2/c1-8-13(9(2)16-15-8)14-7-10-4-5-12(18-3)11(17)6-10/h4-6,14,17H,7H2,1-3H3,(H,15,16)
InChIKeyUMTPDKUALFMPFL-UHFFFAOYSA-N
MW247.30 g/mol
LogP2.35
Rot. Bonds4

About 5-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-2-methoxyphenol

5-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-2-methoxyphenol (PubChem CID 43547406) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 5-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-2-methoxyphenol.

Molecular Properties

Compound Name5-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-2-methoxyphenol
PubChem CID43547406
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name5-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-2-methoxyphenol
SMILESCOc1ccc(CNc2c(C)n[nH]c2C)cc1O
InChIInChI=1S/C13H17N3O2/c1-8-13(9(2)16-15-8)14-7-10-4-5-12(18-3)11(17)6-10/h4-6,14,17H,7H2,1-3H3,(H,15,16)
InChIKeyUMTPDKUALFMPFL-UHFFFAOYSA-N
XLogP2.35
TPSA70.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-2,6-dimethoxyphenol
CID 43547176
2-methoxy-5-[(2,4,6-trimethylanilino)methyl]phenol
CID 39370195
N-[(5-chloro-2-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine
CID 54905308
N-[(3,5-dimethoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine
CID 43547207
2-methoxy-5-[(2,4,6-trifluoroanilino)methyl]phenol
CID 58752919
2-methoxy-5-[[(6-methyl-3-pyridinyl)amino]methyl]phenol
CID 81498732
N-(1H-indol-5-ylmethyl)-3,5-dimethyl-1H-pyrazol-4-amine
CID 102909486
5-[[(6-bromo-2-methyl-3-pyridinyl)amino]methyl]-2-methoxyphenol
CID 104600016
2-methoxy-5-[[(5-methyl-2-pyridinyl)amino]methyl]phenol
CID 71695384
2-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-4-methylphenol
CID 63326681
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(3-methoxy-4-methylphenyl)acetamide
CID 43402634
2-[(3-hydroxy-4-methoxyphenyl)methylamino]-3-methoxybenzonitrile
CID 107467113

Frequently Asked Questions

What is the IUPAC name of 5-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-2-methoxyphenol?
The IUPAC name of 5-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-2-methoxyphenol (CID 43547406) is 5-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-2-methoxyphenol.
What is the SMILES notation for 5-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-2-methoxyphenol?
The canonical SMILES for 5-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-2-methoxyphenol is COc1ccc(CNc2c(C)n[nH]c2C)cc1O.
What is the InChIKey of 5-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-2-methoxyphenol?
The InChIKey is UMTPDKUALFMPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-8-13(9(2)16-15-8)14-7-10-4-5-12(18-3)11(17)6-10/h4-6,14,17H,7H2,1-3H3,(H,15,16).
What are the key properties of 5-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-2-methoxyphenol?
5-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-2-methoxyphenol has a molecular weight of 247.30 g/mol, XLogP of 2.35, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-2-methoxyphenol is sourced from PubChem (CID 43547406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).