4-(2-bromophenyl)-5-[(1-methoxycyclobutyl)methyl]-1H-pyrazol-3-amine

C15H18BrN3O — CID 103556830

IUPAC4-(2-bromophenyl)-5-[(1-methoxycyclobutyl)methyl]-1H-pyrazol-3-amine
SMILESCOC1(Cc2[nH]nc(N)c2-c2ccccc2Br)CCC1
InChIInChI=1S/C15H18BrN3O/c1-20-15(7-4-8-15)9-12-13(14(17)19-18-12)10-5-2-3-6-11(10)16/h2-3,5-6H,4,7-9H2,1H3,(H3,17,18,19)
InChIKeyNSIWEVMFNIDZID-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.53
Rot. Bonds4

About 4-(2-bromophenyl)-5-[(1-methoxycyclobutyl)methyl]-1H-pyrazol-3-amine

4-(2-bromophenyl)-5-[(1-methoxycyclobutyl)methyl]-1H-pyrazol-3-amine (PubChem CID 103556830) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is 4-(2-bromophenyl)-5-[(1-methoxycyclobutyl)methyl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-(2-bromophenyl)-5-[(1-methoxycyclobutyl)methyl]-1H-pyrazol-3-amine
PubChem CID103556830
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC Name4-(2-bromophenyl)-5-[(1-methoxycyclobutyl)methyl]-1H-pyrazol-3-amine
SMILESCOC1(Cc2[nH]nc(N)c2-c2ccccc2Br)CCC1
InChIInChI=1S/C15H18BrN3O/c1-20-15(7-4-8-15)9-12-13(14(17)19-18-12)10-5-2-3-6-11(10)16/h2-3,5-6H,4,7-9H2,1H3,(H3,17,18,19)
InChIKeyNSIWEVMFNIDZID-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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Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenyl)-5-[(1-methoxycyclobutyl)methyl]-1H-pyrazol-3-amine?
The IUPAC name of 4-(2-bromophenyl)-5-[(1-methoxycyclobutyl)methyl]-1H-pyrazol-3-amine (CID 103556830) is 4-(2-bromophenyl)-5-[(1-methoxycyclobutyl)methyl]-1H-pyrazol-3-amine.
What is the SMILES notation for 4-(2-bromophenyl)-5-[(1-methoxycyclobutyl)methyl]-1H-pyrazol-3-amine?
The canonical SMILES for 4-(2-bromophenyl)-5-[(1-methoxycyclobutyl)methyl]-1H-pyrazol-3-amine is COC1(Cc2[nH]nc(N)c2-c2ccccc2Br)CCC1.
What is the InChIKey of 4-(2-bromophenyl)-5-[(1-methoxycyclobutyl)methyl]-1H-pyrazol-3-amine?
The InChIKey is NSIWEVMFNIDZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c1-20-15(7-4-8-15)9-12-13(14(17)19-18-12)10-5-2-3-6-11(10)16/h2-3,5-6H,4,7-9H2,1H3,(H3,17,18,19).
What are the key properties of 4-(2-bromophenyl)-5-[(1-methoxycyclobutyl)methyl]-1H-pyrazol-3-amine?
4-(2-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-(2-bromophenyl)-5-[(1-methoxycyclobutyl)methyl]-1H-pyrazol-3-amine is sourced from PubChem (CID 103556830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).