4-(4-bromophenyl)-5-[(1-methoxycyclobutyl)methyl]-1H-pyrazol-3-amine

C15H18BrN3O — CID 103556789

IUPAC4-(4-bromophenyl)-5-[(1-methoxycyclobutyl)methyl]-1H-pyrazol-3-amine
SMILESCOC1(Cc2[nH]nc(N)c2-c2ccc(Br)cc2)CCC1
InChIInChI=1S/C15H18BrN3O/c1-20-15(7-2-8-15)9-12-13(14(17)19-18-12)10-3-5-11(16)6-4-10/h3-6H,2,7-9H2,1H3,(H3,17,18,19)
InChIKeyAXPDRLKGNXVTNV-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.53
Rot. Bonds4

About 4-(4-bromophenyl)-5-[(1-methoxycyclobutyl)methyl]-1H-pyrazol-3-amine

4-(4-bromophenyl)-5-[(1-methoxycyclobutyl)methyl]-1H-pyrazol-3-amine (PubChem CID 103556789) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is 4-(4-bromophenyl)-5-[(1-methoxycyclobutyl)methyl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-(4-bromophenyl)-5-[(1-methoxycyclobutyl)methyl]-1H-pyrazol-3-amine
PubChem CID103556789
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC Name4-(4-bromophenyl)-5-[(1-methoxycyclobutyl)methyl]-1H-pyrazol-3-amine
SMILESCOC1(Cc2[nH]nc(N)c2-c2ccc(Br)cc2)CCC1
InChIInChI=1S/C15H18BrN3O/c1-20-15(7-2-8-15)9-12-13(14(17)19-18-12)10-3-5-11(16)6-4-10/h3-6H,2,7-9H2,1H3,(H3,17,18,19)
InChIKeyAXPDRLKGNXVTNV-UHFFFAOYSA-N
XLogP3.53
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,4-dichlorophenyl)-5-[(1-methoxycyclobutyl)methyl]-1H-pyrazol-3-amine
CID 103556824
4-(2-bromophenyl)-5-[(1-methoxycyclobutyl)methyl]-1H-pyrazol-3-amine
CID 103556830
5-[(1-methoxycyclobutyl)methyl]-4-(4-methoxyphenyl)-1,2-oxazol-3-amine
CID 103558587
5-benzyl-4-(4-methoxyphenyl)-1H-pyrazol-3-amine
CID 6456520
1-bromo-4-[1-bromo-2-(1-methoxycyclobutyl)ethyl]benzene
CID 103557717
4-(4-chlorophenyl)-3-[(1-methoxycyclobutyl)methyl]-1-methylpyrazol-5-amine
CID 103556801
1-(4-bromophenyl)-2-(1-methoxycyclobutyl)ethanol
CID 103557499
4-[(1-methoxycyclobutyl)methyl]-1,3-thiazol-2-amine
CID 103558694
4-(2-bromophenyl)-3-[(1-methoxycyclobutyl)methyl]-1,2-oxazol-5-amine
CID 103557004
2-[1-[(4-bromophenyl)methoxy]cyclobutyl]ethanamine
CID 103274368
5-methoxy-2-[(1-methoxycyclobutyl)methyl]-1H-imidazo[4,5-b]pyridine
CID 103557135
5-butyl-4-(4-chlorophenyl)-1H-pyrazol-3-amine
CID 43157539

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-5-[(1-methoxycyclobutyl)methyl]-1H-pyrazol-3-amine?
The IUPAC name of 4-(4-bromophenyl)-5-[(1-methoxycyclobutyl)methyl]-1H-pyrazol-3-amine (CID 103556789) is 4-(4-bromophenyl)-5-[(1-methoxycyclobutyl)methyl]-1H-pyrazol-3-amine.
What is the SMILES notation for 4-(4-bromophenyl)-5-[(1-methoxycyclobutyl)methyl]-1H-pyrazol-3-amine?
The canonical SMILES for 4-(4-bromophenyl)-5-[(1-methoxycyclobutyl)methyl]-1H-pyrazol-3-amine is COC1(Cc2[nH]nc(N)c2-c2ccc(Br)cc2)CCC1.
What is the InChIKey of 4-(4-bromophenyl)-5-[(1-methoxycyclobutyl)methyl]-1H-pyrazol-3-amine?
The InChIKey is AXPDRLKGNXVTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c1-20-15(7-2-8-15)9-12-13(14(17)19-18-12)10-3-5-11(16)6-4-10/h3-6H,2,7-9H2,1H3,(H3,17,18,19).
What are the key properties of 4-(4-bromophenyl)-5-[(1-methoxycyclobutyl)methyl]-1H-pyrazol-3-amine?
4-(4-bromophenyl)-5-[(1-methoxycyclobutyl)methyl]-1H-pyrazol-3-amine has a molecular weight of 336.23 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-5-[(1-methoxycyclobutyl)methyl]-1H-pyrazol-3-amine is sourced from PubChem (CID 103556789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).