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

C14H16BrN3 — CID 83154716

IUPAC4-(2-bromophenyl)-5-(1-cyclopropylethyl)-1H-pyrazol-3-amine
SMILESCC(c1[nH]nc(N)c1-c1ccccc1Br)C1CC1
InChIInChI=1S/C14H16BrN3/c1-8(9-6-7-9)13-12(14(16)18-17-13)10-4-2-3-5-11(10)15/h2-5,8-9H,6-7H2,1H3,(H3,16,17,18)
InChIKeyGBJGDMTWNYSDPC-UHFFFAOYSA-N
MW306.21 g/mol
LogP3.93
Rot. Bonds3

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

4-(2-bromophenyl)-5-(1-cyclopropylethyl)-1H-pyrazol-3-amine (PubChem CID 83154716) has the molecular formula C14H16BrN3 and a molecular weight of 306.21 g/mol. Its IUPAC name is 4-(2-bromophenyl)-5-(1-cyclopropylethyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-(2-bromophenyl)-5-(1-cyclopropylethyl)-1H-pyrazol-3-amine
PubChem CID83154716
Molecular FormulaC14H16BrN3
Molecular Weight306.21 g/mol
Exact Mass305.05
IUPAC Name4-(2-bromophenyl)-5-(1-cyclopropylethyl)-1H-pyrazol-3-amine
SMILESCC(c1[nH]nc(N)c1-c1ccccc1Br)C1CC1
InChIInChI=1S/C14H16BrN3/c1-8(9-6-7-9)13-12(14(16)18-17-13)10-4-2-3-5-11(10)15/h2-5,8-9H,6-7H2,1H3,(H3,16,17,18)
InChIKeyGBJGDMTWNYSDPC-UHFFFAOYSA-N
XLogP3.93
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.21
LogP ≤ 53.93
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-(1-cyclopropylethyl)-1H-pyrazol-3-amine?
The IUPAC name of 4-(2-bromophenyl)-5-(1-cyclopropylethyl)-1H-pyrazol-3-amine (CID 83154716) is 4-(2-bromophenyl)-5-(1-cyclopropylethyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 4-(2-bromophenyl)-5-(1-cyclopropylethyl)-1H-pyrazol-3-amine?
The canonical SMILES for 4-(2-bromophenyl)-5-(1-cyclopropylethyl)-1H-pyrazol-3-amine is CC(c1[nH]nc(N)c1-c1ccccc1Br)C1CC1.
What is the InChIKey of 4-(2-bromophenyl)-5-(1-cyclopropylethyl)-1H-pyrazol-3-amine?
The InChIKey is GBJGDMTWNYSDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3/c1-8(9-6-7-9)13-12(14(16)18-17-13)10-4-2-3-5-11(10)15/h2-5,8-9H,6-7H2,1H3,(H3,16,17,18).
What are the key properties of 4-(2-bromophenyl)-5-(1-cyclopropylethyl)-1H-pyrazol-3-amine?
4-(2-bromophenyl)-5-(1-cyclopropylethyl)-1H-pyrazol-3-amine has a molecular weight of 306.21 g/mol, XLogP of 3.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenyl)-5-(1-cyclopropylethyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 83154716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).