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

C10H10BrN3 — CID 17229016

IUPAC4-(4-bromophenyl)-5-methyl-1H-pyrazol-3-amine
SMILESCc1[nH]nc(N)c1-c1ccc(Br)cc1
InChIInChI=1S/C10H10BrN3/c1-6-9(10(12)14-13-6)7-2-4-8(11)5-3-7/h2-5H,1H3,(H3,12,13,14)
InChIKeyXBGQAVPNQRLZOV-UHFFFAOYSA-N
MW252.12 g/mol
LogP2.73
Rot. Bonds1

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

4-(4-bromophenyl)-5-methyl-1H-pyrazol-3-amine (PubChem CID 17229016) has the molecular formula C10H10BrN3 and a molecular weight of 252.12 g/mol. Its IUPAC name is 4-(4-bromophenyl)-5-methyl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-(4-bromophenyl)-5-methyl-1H-pyrazol-3-amine
PubChem CID17229016
Molecular FormulaC10H10BrN3
Molecular Weight252.12 g/mol
Exact Mass251.01
IUPAC Name4-(4-bromophenyl)-5-methyl-1H-pyrazol-3-amine
SMILESCc1[nH]nc(N)c1-c1ccc(Br)cc1
InChIInChI=1S/C10H10BrN3/c1-6-9(10(12)14-13-6)7-2-4-8(11)5-3-7/h2-5H,1H3,(H3,12,13,14)
InChIKeyXBGQAVPNQRLZOV-UHFFFAOYSA-N
XLogP2.73
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.12
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-5-methyl-1H-pyrazol-3-amine?
The IUPAC name of 4-(4-bromophenyl)-5-methyl-1H-pyrazol-3-amine (CID 17229016) is 4-(4-bromophenyl)-5-methyl-1H-pyrazol-3-amine.
What is the SMILES notation for 4-(4-bromophenyl)-5-methyl-1H-pyrazol-3-amine?
The canonical SMILES for 4-(4-bromophenyl)-5-methyl-1H-pyrazol-3-amine is Cc1[nH]nc(N)c1-c1ccc(Br)cc1.
What is the InChIKey of 4-(4-bromophenyl)-5-methyl-1H-pyrazol-3-amine?
The InChIKey is XBGQAVPNQRLZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3/c1-6-9(10(12)14-13-6)7-2-4-8(11)5-3-7/h2-5H,1H3,(H3,12,13,14).
What are the key properties of 4-(4-bromophenyl)-5-methyl-1H-pyrazol-3-amine?
4-(4-bromophenyl)-5-methyl-1H-pyrazol-3-amine has a molecular weight of 252.12 g/mol, XLogP of 2.73, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-5-methyl-1H-pyrazol-3-amine is sourced from PubChem (CID 17229016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).