N-[(3,5-dimethoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine

C14H19N3O2 — CID 43547207

IUPACN-[(3,5-dimethoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine
SMILESCOc1cc(CNc2c(C)n[nH]c2C)cc(OC)c1
InChIInChI=1S/C14H19N3O2/c1-9-14(10(2)17-16-9)15-8-11-5-12(18-3)7-13(6-11)19-4/h5-7,15H,8H2,1-4H3,(H,16,17)
InChIKeyUEPMAGQJYIXHLJ-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.66
Rot. Bonds5

About N-[(3,5-dimethoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine

N-[(3,5-dimethoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine (PubChem CID 43547207) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-[(3,5-dimethoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine.

Molecular Properties

Compound NameN-[(3,5-dimethoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine
PubChem CID43547207
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN-[(3,5-dimethoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine
SMILESCOc1cc(CNc2c(C)n[nH]c2C)cc(OC)c1
InChIInChI=1S/C14H19N3O2/c1-9-14(10(2)17-16-9)15-8-11-5-12(18-3)7-13(6-11)19-4/h5-7,15H,8H2,1-4H3,(H,16,17)
InChIKeyUEPMAGQJYIXHLJ-UHFFFAOYSA-N
XLogP2.66
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.66
H-Bond Donors ≤ 52
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
5-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-2-methoxyphenol
CID 43547406
N-[(5-chloro-2-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine
CID 54905308
N-[(3-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine
CID 43547419
2,4,6-tribromo-N-[(3,5-dimethoxyphenyl)methyl]aniline
CID 28991723
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3,5-dimethyl-1H-pyrazol-4-amine
CID 43547184
N-(1H-indol-5-ylmethyl)-3,5-dimethyl-1H-pyrazol-4-amine
CID 102909486
2-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-4-methylphenol
CID 63326681
3,5-dimethyl-N-propyl-1H-pyrazol-4-amine
CID 43547244
N-[(4-chloro-2-methylphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine
CID 114075363
4-[(3,5-dimethoxyphenyl)methylamino]-2,5-dimethylphenol
CID 106954005
N-[(2-ethylphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine
CID 55066721

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine?
The IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine (CID 43547207) is N-[(3,5-dimethoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine.
What is the SMILES notation for N-[(3,5-dimethoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine?
The canonical SMILES for N-[(3,5-dimethoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine is COc1cc(CNc2c(C)n[nH]c2C)cc(OC)c1.
What is the InChIKey of N-[(3,5-dimethoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine?
The InChIKey is UEPMAGQJYIXHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-9-14(10(2)17-16-9)15-8-11-5-12(18-3)7-13(6-11)19-4/h5-7,15H,8H2,1-4H3,(H,16,17).
What are the key properties of N-[(3,5-dimethoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine?
N-[(3,5-dimethoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine has a molecular weight of 261.32 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine is sourced from PubChem (CID 43547207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).