4-(3-methoxyphenyl)-5-(2,2,3,3-tetramethylcyclopropyl)-1H-pyrazol-3-amine

C17H23N3O — CID 66477859

IUPAC4-(3-methoxyphenyl)-5-(2,2,3,3-tetramethylcyclopropyl)-1H-pyrazol-3-amine
SMILESCOc1cccc(-c2c(N)n[nH]c2C2C(C)(C)C2(C)C)c1
InChIInChI=1S/C17H23N3O/c1-16(2)14(17(16,3)4)13-12(15(18)20-19-13)10-7-6-8-11(9-10)21-5/h6-9,14H,1-5H3,(H3,18,19,20)
InChIKeyIODPFLOVYWEVSL-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.82
Rot. Bonds3

About 4-(3-methoxyphenyl)-5-(2,2,3,3-tetramethylcyclopropyl)-1H-pyrazol-3-amine

4-(3-methoxyphenyl)-5-(2,2,3,3-tetramethylcyclopropyl)-1H-pyrazol-3-amine (PubChem CID 66477859) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-5-(2,2,3,3-tetramethylcyclopropyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-5-(2,2,3,3-tetramethylcyclopropyl)-1H-pyrazol-3-amine
PubChem CID66477859
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name4-(3-methoxyphenyl)-5-(2,2,3,3-tetramethylcyclopropyl)-1H-pyrazol-3-amine
SMILESCOc1cccc(-c2c(N)n[nH]c2C2C(C)(C)C2(C)C)c1
InChIInChI=1S/C17H23N3O/c1-16(2)14(17(16,3)4)13-12(15(18)20-19-13)10-7-6-8-11(9-10)21-5/h6-9,14H,1-5H3,(H3,18,19,20)
InChIKeyIODPFLOVYWEVSL-UHFFFAOYSA-N
XLogP3.82
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-fluorophenyl)-4-(3-methoxyphenyl)-1H-pyrazol-3-amine
CID 61261996
5-(5-fluoro-3-pyridinyl)-4-(3-methoxyphenyl)-1H-pyrazol-3-amine
CID 104785968
5-(5-fluoro-2-pyridinyl)-4-(3-methoxyphenyl)-1H-pyrazol-3-amine
CID 104638670
5-(3-chlorothiophen-2-yl)-4-(3-methoxyphenyl)-1H-pyrazol-3-amine
CID 80644815
5-(4,5-dibromothiophen-2-yl)-4-(3-methoxyphenyl)-1H-pyrazol-3-amine
CID 80534161
5-(3-methoxyphenyl)-2,6-dimethylpyrimidin-4-amine
CID 15280859
3-amino-5,6-bis(3-methoxyphenyl)-1H-pyrazin-2-one
CID 132588517
5-[5-(3-methoxyphenyl)-1H-1,2,4-triazol-3-yl]benzene-1,3-diamine
CID 43826589
3-amino-5-(3-methoxyphenyl)-1H-pyrazole-4-carbonitrile
CID 69465742
4-(2,4-difluorophenyl)-5-(2,2,3,3-tetramethylcyclopropyl)-1H-pyrazol-3-amine
CID 66475954
3,5-difluoro-4-(3-methoxyphenyl)aniline
CID 175669991
5-(3-methoxyphenyl)-3-[3-[5-(3-methoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole
CID 118529464

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)-5-(2,2,3,3-tetramethylcyclopropyl)-1H-pyrazol-3-amine?
The IUPAC name of 4-(3-methoxyphenyl)-5-(2,2,3,3-tetramethylcyclopropyl)-1H-pyrazol-3-amine (CID 66477859) is 4-(3-methoxyphenyl)-5-(2,2,3,3-tetramethylcyclopropyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 4-(3-methoxyphenyl)-5-(2,2,3,3-tetramethylcyclopropyl)-1H-pyrazol-3-amine?
The canonical SMILES for 4-(3-methoxyphenyl)-5-(2,2,3,3-tetramethylcyclopropyl)-1H-pyrazol-3-amine is COc1cccc(-c2c(N)n[nH]c2C2C(C)(C)C2(C)C)c1.
What is the InChIKey of 4-(3-methoxyphenyl)-5-(2,2,3,3-tetramethylcyclopropyl)-1H-pyrazol-3-amine?
The InChIKey is IODPFLOVYWEVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-16(2)14(17(16,3)4)13-12(15(18)20-19-13)10-7-6-8-11(9-10)21-5/h6-9,14H,1-5H3,(H3,18,19,20).
What are the key properties of 4-(3-methoxyphenyl)-5-(2,2,3,3-tetramethylcyclopropyl)-1H-pyrazol-3-amine?
4-(3-methoxyphenyl)-5-(2,2,3,3-tetramethylcyclopropyl)-1H-pyrazol-3-amine has a molecular weight of 285.39 g/mol, XLogP of 3.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)-5-(2,2,3,3-tetramethylcyclopropyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 66477859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).