4-(2,3-dimethoxy-5-propan-2-ylphenyl)-1H-pyrazol-5-amine

C14H19N3O2 — CID 117407752

IUPAC4-(2,3-dimethoxy-5-propan-2-ylphenyl)-1H-pyrazol-5-amine
SMILESCOc1cc(C(C)C)cc(-c2cn[nH]c2N)c1OC
InChIInChI=1S/C14H19N3O2/c1-8(2)9-5-10(11-7-16-17-14(11)15)13(19-4)12(6-9)18-3/h5-8H,1-4H3,(H3,15,16,17)
InChIKeyPFOJCMXLVFBUFH-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.80
Rot. Bonds4

About 4-(2,3-dimethoxy-5-propan-2-ylphenyl)-1H-pyrazol-5-amine

4-(2,3-dimethoxy-5-propan-2-ylphenyl)-1H-pyrazol-5-amine (PubChem CID 117407752) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-(2,3-dimethoxy-5-propan-2-ylphenyl)-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-(2,3-dimethoxy-5-propan-2-ylphenyl)-1H-pyrazol-5-amine
PubChem CID117407752
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name4-(2,3-dimethoxy-5-propan-2-ylphenyl)-1H-pyrazol-5-amine
SMILESCOc1cc(C(C)C)cc(-c2cn[nH]c2N)c1OC
InChIInChI=1S/C14H19N3O2/c1-8(2)9-5-10(11-7-16-17-14(11)15)13(19-4)12(6-9)18-3/h5-8H,1-4H3,(H3,15,16,17)
InChIKeyPFOJCMXLVFBUFH-UHFFFAOYSA-N
XLogP2.80
TPSA73.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-bromo-3-methoxy-5-propan-2-ylphenyl)-1H-pyrazol-5-amine
CID 117494945
4-(5-bromo-2,3-dimethoxyphenyl)-1H-pyrazol-5-amine
CID 117479828
4-[5-(1,1-difluoroethyl)-2,3-dimethoxyphenyl]-1H-pyrazol-5-amine
CID 117455217
4-(5-bromo-2-methoxy-3-propan-2-ylphenyl)-1H-pyrazol-5-amine
CID 117494952
4-[5-(difluoromethyl)-3-fluoro-2-methoxyphenyl]-1H-pyrazol-5-amine
CID 117395723
4-(3-bromo-4,5-dimethoxy-2-methylphenyl)-1H-pyrazol-5-amine
CID 117496878
4-[3-(1-fluoroethyl)-4,5-dimethoxyphenyl]-1H-pyrazol-5-amine
CID 117416880
4-(4,7-dimethoxy-2,3-dihydro-1H-inden-5-yl)-1H-pyrazol-5-amine
CID 117401937
4-(2-bromo-3,4-dimethoxy-6-methylphenyl)-1H-pyrazol-5-amine
CID 117496868
4-(2,5-dimethoxy-4-methylsulfanylphenyl)-1H-pyrazol-5-amine
CID 117417529
4-[2-(difluoromethyl)-4,5-dimethoxyphenyl]-1H-pyrazol-5-amine
CID 117426003
4-(2-chloro-3,4-dimethoxy-6-methylphenyl)-1H-pyrazol-5-amine
CID 117422663

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethoxy-5-propan-2-ylphenyl)-1H-pyrazol-5-amine?
The IUPAC name of 4-(2,3-dimethoxy-5-propan-2-ylphenyl)-1H-pyrazol-5-amine (CID 117407752) is 4-(2,3-dimethoxy-5-propan-2-ylphenyl)-1H-pyrazol-5-amine.
What is the SMILES notation for 4-(2,3-dimethoxy-5-propan-2-ylphenyl)-1H-pyrazol-5-amine?
The canonical SMILES for 4-(2,3-dimethoxy-5-propan-2-ylphenyl)-1H-pyrazol-5-amine is COc1cc(C(C)C)cc(-c2cn[nH]c2N)c1OC.
What is the InChIKey of 4-(2,3-dimethoxy-5-propan-2-ylphenyl)-1H-pyrazol-5-amine?
The InChIKey is PFOJCMXLVFBUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-8(2)9-5-10(11-7-16-17-14(11)15)13(19-4)12(6-9)18-3/h5-8H,1-4H3,(H3,15,16,17).
What are the key properties of 4-(2,3-dimethoxy-5-propan-2-ylphenyl)-1H-pyrazol-5-amine?
4-(2,3-dimethoxy-5-propan-2-ylphenyl)-1H-pyrazol-5-amine has a molecular weight of 261.32 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethoxy-5-propan-2-ylphenyl)-1H-pyrazol-5-amine is sourced from PubChem (CID 117407752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).