4-(2-bromophenyl)-5-cycloheptyl-1H-pyrazol-3-amine

C16H20BrN3 — CID 62830687

IUPAC4-(2-bromophenyl)-5-cycloheptyl-1H-pyrazol-3-amine
SMILESNc1n[nH]c(C2CCCCCC2)c1-c1ccccc1Br
InChIInChI=1S/C16H20BrN3/c17-13-10-6-5-9-12(13)14-15(19-20-16(14)18)11-7-3-1-2-4-8-11/h5-6,9-11H,1-4,7-8H2,(H3,18,19,20)
InChIKeyQVVYCPQYHBDNPW-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.86
Rot. Bonds2

About 4-(2-bromophenyl)-5-cycloheptyl-1H-pyrazol-3-amine

4-(2-bromophenyl)-5-cycloheptyl-1H-pyrazol-3-amine (PubChem CID 62830687) has the molecular formula C16H20BrN3 and a molecular weight of 334.26 g/mol. Its IUPAC name is 4-(2-bromophenyl)-5-cycloheptyl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-(2-bromophenyl)-5-cycloheptyl-1H-pyrazol-3-amine
PubChem CID62830687
Molecular FormulaC16H20BrN3
Molecular Weight334.26 g/mol
Exact Mass333.08
IUPAC Name4-(2-bromophenyl)-5-cycloheptyl-1H-pyrazol-3-amine
SMILESNc1n[nH]c(C2CCCCCC2)c1-c1ccccc1Br
InChIInChI=1S/C16H20BrN3/c17-13-10-6-5-9-12(13)14-15(19-20-16(14)18)11-7-3-1-2-4-8-11/h5-6,9-11H,1-4,7-8H2,(H3,18,19,20)
InChIKeyQVVYCPQYHBDNPW-UHFFFAOYSA-N
XLogP4.86
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenyl)-5-cycloheptyl-1H-pyrazol-3-amine?
The IUPAC name of 4-(2-bromophenyl)-5-cycloheptyl-1H-pyrazol-3-amine (CID 62830687) is 4-(2-bromophenyl)-5-cycloheptyl-1H-pyrazol-3-amine.
What is the SMILES notation for 4-(2-bromophenyl)-5-cycloheptyl-1H-pyrazol-3-amine?
The canonical SMILES for 4-(2-bromophenyl)-5-cycloheptyl-1H-pyrazol-3-amine is Nc1n[nH]c(C2CCCCCC2)c1-c1ccccc1Br.
What is the InChIKey of 4-(2-bromophenyl)-5-cycloheptyl-1H-pyrazol-3-amine?
The InChIKey is QVVYCPQYHBDNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3/c17-13-10-6-5-9-12(13)14-15(19-20-16(14)18)11-7-3-1-2-4-8-11/h5-6,9-11H,1-4,7-8H2,(H3,18,19,20).
What are the key properties of 4-(2-bromophenyl)-5-cycloheptyl-1H-pyrazol-3-amine?
4-(2-bromophenyl)-5-cycloheptyl-1H-pyrazol-3-amine has a molecular weight of 334.26 g/mol, XLogP of 4.86, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenyl)-5-cycloheptyl-1H-pyrazol-3-amine is sourced from PubChem (CID 62830687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).